SCHEMBL2854061

SCHEMBL2854061

Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.84
CCR1 P32246 4/20 0.67
MAPT P10636 1/20 0.61
SPR P35270 1/20 0.61
ALDH1A1 P00352 2/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
MAPK11 Q15759 2/20 0.58
MAPK14 Q16539 2/20 0.58
EED O75530 1/20 0.58
RBBP4 Q09028 1/20 0.58
SUZ12 Q15022 1/20 0.58
EZH2 Q15910 1/20 0.58
AEBP2 Q6ZN18 1/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL2854347 0.95 HPGD (0.84) HPGDCCR1MAPTSPRALDH1A1
SCHEMBL2850603 0.94 HPGD (0.73) HPGDCCR1MAPTSPRALDH1A1
SCHEMBL2856089 0.91 HPGD (1.00) HPGDCCR1NPC1RAB9ASMN1; SMN2
SCHEMBL2857860 0.88 CCR1 (0.75) HPGDCCR1MAPTSPRALDH1A1
SCHEMBL2850617 0.88 HPGD (0.84) HPGDCCR1ALDH1A1NPC1RAB9A
SCHEMBL2855676 0.86 CCR1 (0.63) HPGDCCR1MAPTSPRNPC1
SCHEMBL2852102 0.84 ALDH1A1 (0.67) HPGDCCR1MAPTALDH1A1NPC1
SCHEMBL2852886 0.84 CCR1 (0.62) HPGDCCR1MAPTALDH1A1NPC1
SCHEMBL2854454 0.83 HPGD (0.72) HPGDCCR1MAPTALDH1A1NPC1
SCHEMBL2856450 0.83 HPGD (0.74) HPGDCCR1NPC1RAB9ASMN1; 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