SCHEMBL31517865

SCHEMBL31517865

Cc1nc(Cl)cc(OCc2ccccc2)c1CO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ RHEB Q15382 1/20 0.47
▸ ATP4A P20648 2/20 0.47
▸ ATP4B P51164 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ LIPE Q05469 1/20 0.41
▸ PLAU P00749 1/20 0.40
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL5386139 0.86 STAT3 (0.51) HTTSMN1; SMN2STAT3RHEBATP4A
SCHEMBL17494990 0.86 RHEB (0.46) HTTSMN1; SMN2STAT3RHEBATP4A
SCHEMBL26608491 0.85 NPC1 (0.44) HTTSMN1; SMN2RHEBL3MBTL1MAPT
SCHEMBL26601861 0.85 PTGDR2 (0.49) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL31517925 0.84 HTT (0.47) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL26601750 0.83 PTGER1 (0.45) HTTSMN1; SMN2STAT3MCL1PLAU
SCHEMBL30624528 0.83 SMN1; SMN2 (0.46) HTTSMN1; SMN2STAT3RHEBATP4A
SCHEMBL26601670 0.83 SMN1; SMN2 (0.46) HTTSMN1; SMN2STAT3RHEBATP4A
SCHEMBL26601758 0.83 SMN1; SMN2 (0.46) HTTSMN1; SMN2STAT3ATP4AATP4B
SCHEMBL4781292 0.82 HTT (0.54) HTTSMN1; SMN2STAT3RHEBATP4A

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
WO-2025090480-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 — — WO disclosed
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