SCHEMBL11611642

SCHEMBL11611642

O=C(Nc1nccs1)c1cc(Br)c(Br)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ MAPK8 P45983 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SCD O00767 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ METAP2 P50579 1/20 0.48
▸ METAP1 P53582 1/20 0.48

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
SCHEMBL29176359 0.77 RAB9A (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29904457 0.74 HSPA5 (0.71) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8558332 0.74 HSPA5 (0.71) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3206087 0.72 RAB9A (0.66) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7946681 0.71 RAB9A (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2656771 0.71 RAB9A (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL995829 0.69 NPC1 (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2628996 0.69 NPC1 (0.76) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11606613 0.69 DAO (0.53) MEN1KMT2APOLB
SCHEMBL4290771 0.68 NPC1 (0.79) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183818-A1 ANTIBIOTIC SUSCEPTIBILITY OF MICROORGANISMS AND RELATED MARKERS, COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-06-15 — — US disclosed
WO-2020028718-A1 ANTIBIOTIC SUSCEPTIBILITY OF MICROORGANISMS AND RELATED MARKERS, COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-02-06 — — WO disclosed
US-4084051-A BACTERICIDES, HERBICIDES STERLING DRUG INC. (US) 1978-04-11 — — US disclosed
US-4046775-A 4,5-Dihalopyrrole-2-carboxamides STERLING DRUG INC. (US) 1977-09-06 — — US disclosed
US-3963480-A Herbicidal pyrrole-2-carboxamides STERLING DRUG INC. (US) 1976-06-15 — — US disclosed
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