SCHEMBL30593142

SCHEMBL30593142

Cc1nc(Cl)c(C(=O)OCc2ccccc2)c(OCc2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
PTPN1 P18031 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 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
SCHEMBL26608399 1.00 POLB (0.49) POLBRAB9AKMT2AALDH1A1NPC1
SCHEMBL31336221 0.94 KMT2A (0.47) RAB9AKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL26601732 0.94 KMT2A (0.47) RAB9AKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL26608371 0.88 ALDH1A1 (0.48) POLBKMT2AALDH1A1PTPN1LMNA
SCHEMBL31336280 0.87 ALDH1A1 (0.43) POLBRAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL26608206 0.87 ALDH1A1 (0.43) POLBRAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL31336263 0.85 KMT2A (0.48) POLBRAB9AKMT2AALDH1A1NPC1
SCHEMBL31336276 0.85 RAB9A (0.51) RAB9AKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL26608464 0.85 KMT2A (0.48) POLBRAB9AKMT2AALDH1A1NPC1
SCHEMBL26608329 0.85 RAB9A (0.51) RAB9AKMT2AALDH1A1NPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed
EP-4511115-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
WO-2023205468-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed