SCHEMBL31717232

SCHEMBL31717232

COCCn1ncc2cc(C)c(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.41
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
HTR2B P41595 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KMO O15229 2/20 0.36
ATAD2 Q6PL18 1/20 0.36
TERT O14746 1/20 0.35
MAPK1 P28482 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3345161 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL1463344 0.81 HTR2A (0.32) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL1746766 0.81 HTR2A (0.32) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL31717403 0.80 TERT (0.40) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL31717647 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BKMOATAD2
SCHEMBL3655446 0.78 MAOB (0.51) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL14909634 0.78 HTR2A (0.47) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL21603505 0.77 ATAD2 (0.44) ATAD2TERTMAPK1ALDH1A1
SCHEMBL31716743 0.77 GLS (0.42) MAOBMAOAKMOALDH1A1LMNA
SCHEMBL13607534 0.76 MAOB (0.52) MAOBMAOAHTR2AHTR2CMEN1

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-2025224759-A1 INDANOL SUBSTITUTED DIAMINO PYRIMIDINE CARBOXAMIDES AS DUAL ATM/DNA-PK INHIBITORS BUGWORKS RESEARCH INDIA PVT. LTD (IN) 2025-10-30 WO disclosed