SCHEMBL7690488

SCHEMBL7690488

C=CC[S+]([O-])c1c[nH]c(SCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAOB P27338 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CTSB P07858 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL6582698 0.73 RAB9A (0.42) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL6623681 0.67 RAB9A (0.47) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL6629853 0.67 HTT (0.50) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL7007073 0.63 PLA2G7 (0.49) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL3715462 0.63 HPGD (0.45) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL28234324 0.62 MEN1 (0.34) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL88855 0.61 ALDH1A1 (0.33) TSHR
SCHEMBL9744557 0.61 ALDH1A1 (0.43) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL14577156 0.61 CCR1 (0.44) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL13752162 0.61 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 — — US disclosed
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