SCHEMBL5591608

SCHEMBL5591608

COCCn1c(C)nc2cc(C#N)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.59
TDP1 Q9NUW8 1/20 0.45
BRD4 O60885 1/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
ITK Q08881 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA2A P29274 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL24320209 0.83 PTGER4 (0.53) PTGER4TP53LMNAITKKMT2A
SCHEMBL28971006 0.81 KDM4E (0.59) PTGER4TDP1LMNAKMT2AHTT
SCHEMBL20206661 0.79 TDP1 (0.48) PTGER4TDP1BRD4TP53LMNA
SCHEMBL25828246 0.77 GALR3 (0.49) PTGER4BRD4TP53KMT2AALDH1A1
SCHEMBL10953589 0.76 KDM4E (0.50) TP53LMNAMAPTKMT2AHTT
SCHEMBL15774493 0.75 PTGER4 (1.00) PTGER4
SCHEMBL5009001 0.75 HPGD (0.70) TP53LMNAKMT2AHPGDHTT
SCHEMBL16806042 0.75 MAPT (0.62) TDP1BRD4TP53LMNAMAPT
SCHEMBL16806040 0.73 KDM4E (0.50) PTGER4TDP1BRD4TP53LMNA
SCHEMBL28593699 0.72 KDM4E (0.48) PTGER4TDP1MAPTALDH1A1KDM4E

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-2007072142-A2 BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed