SCHEMBL31491313

SCHEMBL31491313

O=c1cc(CCNc2nc(Cl)nc3c2SCC3)cc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ APP P05067 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GPR84 Q9NQS5 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TTBK1 Q5TCY1 1/20 0.32
▸ TTBK2 Q6IQ55 1/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ F2 P00734 2/20 0.31
▸ PRSS1 P07477 1/20 0.30

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
SCHEMBL31491336 0.78 APP (0.33) APPGPR84TTBK1TTBK2IP6K1
SCHEMBL2917889 0.72 KMT2A (0.36) SMN1; SMN2KMT2APDE2APDE11APDE10A
SCHEMBL21098219 0.68 KMT2A (0.43) SMN1; SMN2KMT2AL3MBTL1KDM4EPDE2A
SCHEMBL31670501 0.67 EZH2 (0.38) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31491328 0.65 KIF11 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL11104756 0.65 PDE4B (0.36) POLBKMT2AKDM4EHTT
SCHEMBL20119452 0.65 PDE5A (0.42) APPKMT2AGPR84TTBK1TTBK2
SCHEMBL31469083 0.64 PDE4B (0.47) —
SCHEMBL31491388 0.64 PDE10A (0.44) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL26550437 0.62 MAPT (0.46) SMN1; SMN2MAPTALDH1A1POLBBLM

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-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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