SCHEMBL9524003

SCHEMBL9524003

COc1ccc(-n2cc(C=O)nc2SC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 2/20 0.58
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2A6 P11509 1/20 0.39
TERT O14746 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
TLR8 Q9NR97 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL5418012 0.78 PTGS2 (0.57) MAPTLMNARAB9ASMN1; SMN2NPC1
SCHEMBL5415921 0.70 PTGS2 (0.53) MAPTLMNARAB9ASMN1; SMN2NPC1
SCHEMBL4960613 0.68 P2RX7 (0.62) MAPTALDH1A1CYP2A6KMT2A
SCHEMBL4036684 0.68 CCR1 (0.30)
SCHEMBL5421693 0.67 GABRA2 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11387397 0.67 NR4A1 (0.57) MAPTLMNARAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11377545 0.67 SMN1; SMN2 (0.59) MAPTLMNARAB9ASMN1; SMN2NPC1
SCHEMBL24137386 0.66 CYP11B1 (0.51) ALDH1A1L3MBTL1KDM4E
SCHEMBL9524015 0.66 HPGD (0.40) MAPTLMNARAB9ASMN1; SMN2NPC1
SCHEMBL28536742 0.66 MAPT (0.50) MAPTLMNARAB9ASMN1; SMN2NPC1

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
EP-0261004-B1 IMIDAZOLE DERIVATIVES AND THEIR SALTS, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES, AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-05-26 EP disclosed
US-5063229-A Antiinflammatory agents ROUSSEL ULCAF (FR) 1991-11-05 US disclosed
US-4895866-A Anti-inflammatory imidazole compounds ROUSSEL UCLAF (FR) 1990-01-23 US disclosed
US-4810828-A ANTIARTHRITIC, PSORIASIS ROUSSEL UCLAF (FR) 1989-03-07 US disclosed
EP-0261004-A2 Imidazole derivatives and their salts, process for their preparation, their use as medicines, and compositions containing them ROUSSEL-UCLAF (FR) 1988-03-23 EP disclosed