SCHEMBL5730840

SCHEMBL5730840

COc1cc(CSC2=NCCN2)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
GFER P55789 3/20 0.60
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
HIF1A Q16665 1/20 0.54
USP2 O75604 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
BRS3 P32247 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1B P28222 1/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL5730153 0.86 GFER (0.62) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5731591 0.85 KMT2A (0.64) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5730004 0.82 KMT2A (0.64) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5732051 0.73 CYP2D6 (0.54) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5731407 0.73 MAPT (0.66) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL3163430 0.72 MAPT (0.65) KMT2AGFERMAPTSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL3180041 0.71 KMT2A (0.63) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5732498 0.70 MAPT (0.66) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5730135 0.70 CYP1A2 (0.70) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5731436 0.70 MAPT (0.66) KMT2AGFERMAPTSMN1; SMN2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed