SCHEMBL10779487

SCHEMBL10779487

O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Br)CS[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SPOP O43791 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL7771463 1.00 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL9152111 1.00 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11130980 1.00 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10840113 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL27938962 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10820995 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL8533433 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL1010087 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11690202 0.91 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11686985 0.91 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015079-B1 HALOGENATING COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION ELI LILLY AND COMPANY (US) 1987-09-09 — — EP disclosed
US-4468514-A Preparation of 3-bromocephalosporins from thiazoline azetidinones ELI LILLY AND COMPANY (US) 1984-08-28 — — US disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 — — US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 — — 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
EP-0015079-A1 Halogenating compounds and a process for their production ELI LILLY AND COMPANY (US) 1980-09-03 — — EP disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US disclosed
US-4091214-A ALPHA-HYDROXY CARBOXYLIC ACID ELI LILLY AND COMPANY (US) 1978-05-23 — — US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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