SCHEMBL6244032

SCHEMBL6244032

Brc1cccc(OP(Oc2cccc(Br)c2)Oc2cccc(Br)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.48
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SOD1 P00441 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6244035 0.82 KMT2A (0.46) MAOBRAB9AALDH1A1MAPK1KMT2A
SCHEMBL19904747 0.77 MAOB (0.39) MAOBRAB9AALDH1A1KMT2AHTT
SCHEMBL457828 0.77 MAOB (0.54) MAOBALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL11708306 0.77 MAOB (0.49) MAOBRAB9AALDH1A1KMT2ASLC6A2
SCHEMBL3842164 0.75 MAOB (0.52) MAOBALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL18978437 0.75 — —
SCHEMBL1984268 0.75 LTA4H (0.41) MAOBRAB9AALDH1A1KMT2AGAA
SCHEMBL760366 0.74 MAOB (0.47) MAOBRAB9AALDH1A1MAPK1KMT2A
SCHEMBL38660021 0.74 MAOB (0.47) MAOBRAB9AALDH1A1MAPK1KMT2A
SCHEMBL10323751 0.73 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005010028-A1 ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2005-02-03 — — WO claimed
WO-2005010028-A1 ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2005-02-03 — — WO disclosed
EP-0015079-B1 HALOGENATING COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION ELI LILLY AND COMPANY (US) 1987-09-09 — — EP disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
EP-0015080-B1 PROCESS FOR THE STABILIZATION OF HALOGENATING COMPOUND AND STABILIZED HALOGENATING COMPOSITIONS ELI LILLY AND COMPANY (US) 1983-07-13 — — EP disclosed
EP-0014566-B1 HALOGENATED BETA-LACTAM COMPOUNDS AND PROCESS FOR THEIR PREPARATION ELI LILLY AND COMPANY (US) 1983-05-25 — — EP disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — US disclosed
US-4240988-A WITH TERTIARY AMINE BASES OR HALIDE COMPLEXING AGENTS ELI LILLY AND COMPANY (US) 1980-12-23 — — US disclosed
US-4230644-A DERIVED FROM TRIARYL PHOSPHITES AND CHLORINE OR BROMINE ELI LILLY AND COMPANY (US) 1980-10-28 — — US disclosed
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 — — US disclosed
US-4223133-A USING A TRIARYL PHOSPHITE-HALOGEN COMPLEX ELI LILLY AND COMPANY (US) 1980-09-16 — — US disclosed
EP-0015080-A1 Process for the stabilization of halogenating compound and stabilized halogenating compositions ELI LILLY AND COMPANY (US) 1980-09-03 — — EP disclosed
EP-0015079-A1 Halogenating compounds and a process for their production ELI LILLY AND COMPANY (US) 1980-09-03 — — EP disclosed
EP-0014566-A1 Halogenated beta-lactam compounds and process for their preparation ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 — — US disclosed
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