SCHEMBL8634290

SCHEMBL8634290

c1nc2ccc(-c3ccc4nc[nH]c4c3)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 8/20 0.68
QPCTL Q9NXS2 5/20 0.68
PRKCI P41743 2/20 0.63
KDM4E B2RXH2 3/20 0.61
MAPT P10636 2/20 0.61
RAD52 P43351 1/20 0.61
BRD4 O60885 1/20 0.57
CREBBP Q92793 1/20 0.57
MMP12 P39900 1/20 0.57
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
CYP3A4 P08684 1/20 0.55
NAMPT P43490 1/20 0.55
XDH P47989 1/20 0.55
PSMD11 O00231 1/20 0.53

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
SCHEMBL2474515 0.92 QPCT (0.60) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL2462345 0.90 QPCT (0.68) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL7021141 0.88 QPCT (0.66) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL38665709 0.88 QPCT (0.66) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL22418756 0.87 QPCT (0.64) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL2457156 0.85 QPCT (0.54) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL23227763 0.84 QPCT (0.60) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL2461247 0.84 QPCT (0.53) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL484163 0.84 QPCT (0.60) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL2459101 0.84 QPCT (0.54) QPCTQPCTLPRKCIKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575968-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE ASSOCIATED DISEASE Summit Corporation Plc (GB) 2013-04-10 EP claimed
WO-2011151621-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE ASSOCIATED DISEASE SUMMIT CORPORATION PLC (GB) 2011-12-08 WO claimed
US-5824698-A STAPHYLOCOCCUS, ENTEROCOCCUS OR HELIOBACTER HOFFMAN-LA ROCHE INC. (US) 1998-10-20 US disclosed