SCHEMBL25994523

SCHEMBL25994523

COC1CCCC(Nc2cnn(-c3ccc(C4CCCC4)cc3)c(=O)c2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KAT2B Q92831 16/20 0.41
▸ BPTF Q12830 2/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HTT P42858 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
SCHEMBL25994560 0.89 NPBWR1 (0.46) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25994561 0.89 NPBWR1 (0.46) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25355304 0.85 NPC1 (0.41) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25994611 0.80 NPC1 (0.44) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25356829 0.80 NPC1 (0.44) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25356824 0.80 NPC1 (0.44) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25994566 0.80 NPC1 (0.44) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25355683 0.79 KAT2B (0.42) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL26007778 0.79 RAB9A (0.66) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL25356188 0.75 NPBWR1 (0.59) NPBWR1MCHR1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 — — WO disclosed
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