SCHEMBL2850157

SCHEMBL2850157

O=C(NC(c1ccccn1)c1ccccn1)c1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MALT1 Q9UDY8 13/20 0.42
FPR1 P21462 1/20 0.41
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2854040 0.90 KDM4E (0.48) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2855566 0.89 MALT1 (0.44) KDM4EALDH1A1MAPTMALT1
SCHEMBL2860428 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2855560 0.83 ALDH1A1 (0.49) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10364566 0.82 KDM4E (0.52) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2860499 0.82 RAB9A (0.35) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL1335647 0.80 MAPT (0.68) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL29419571 0.80 MAPT (0.68) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854476 0.79 MALT1 (0.56) KDM4ESMN1; SMN2MALT1
SCHEMBL10364987 0.79 SPR (0.48) KDM4EALDH1A1MAPTPOLBSMN1; SMN2

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed