SCHEMBL31661367

SCHEMBL31661367

Clc1cc2ccc3ncccc3c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 2/20 0.47
NR4A2 P43354 2/20 0.43
DYRK1B Q9Y463 1/20 0.42
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP19A1 P11511 2/20 0.39
MET P08581 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL30538321 0.83 MAPT (0.52) CYP3A4MAPTKDM4ELMNANR4A2
SCHEMBL27085550 0.80 CYP3A4 (0.49) CYP3A4MAPTKDM4ELMNANR4A2
SCHEMBL7846153 0.79 CYP3A4 (0.47) CYP3A4MAPTKDM4ELMNANR4A2
SCHEMBL10978833 0.76 CYP19A1 (0.58) CYP3A4MAPTKDM4ELMNAKMT2A
SCHEMBL11219318 0.75 HSD17B10 (0.63) CYP3A4MAPTKDM4ELMNAMEN1
SCHEMBL28718999 0.75 MAPT (0.50) CYP3A4MAPTKDM4ELMNAMEN1
SCHEMBL4464552 0.75 MAPT (0.50) CYP3A4MAPTKDM4ELMNAMEN1
SCHEMBL29275406 0.74 ALDH1A1 (0.53) CYP3A4MAPTKDM4ELMNAMEN1
SCHEMBL30494604 0.74 ALDH1A1 (0.53) CYP3A4MAPTKDM4ELMNAMEN1
SCHEMBL7354479 0.73 CYP3A4 (0.41) CYP3A4MAPTKDM4ELMNANR4A2

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-2025151549-A1 PYRIDO[3,2-B]INDOLE-3-CARBONITRILE COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2025-07-17 WO disclosed