SCHEMBL9375233

SCHEMBL9375233

O=C1CN(C(=O)c2ccccc2)c2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
ALDH1A1 P00352 3/20 0.72
LMNA P02545 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
BRD4 O60885 4/20 0.68
BRD2 P25440 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
RAB9A P51151 2/20 0.66
TSHR P16473 1/20 0.64
CASP3 P42574 1/20 0.62
CASP2 P42575 1/20 0.62
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL18660612 0.89 HTT (0.80) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL6972083 0.88 HTT (0.79) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL19260255 0.85 HTT (0.74) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL6962591 0.84 HTT (0.71) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL9381334 0.83 HTT (0.71) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL2798583 0.82 HTT (0.69) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL29897959 0.82 HTT (0.69) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL31140232 0.82 HTT (0.69) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL27180011 0.81 HTT (0.66) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL30788269 0.81 HTT (0.66) HTTMEN1KMT2AALDH1A1LMNA

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
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 EP disclosed