SCHEMBL2854119

SCHEMBL2854119

Cc1c(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnn1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.73
CCR1 P32246 7/20 0.71
EED O75530 1/20 0.57
RBBP4 Q09028 1/20 0.57
SUZ12 Q15022 1/20 0.57
EZH2 Q15910 1/20 0.57
AEBP2 Q6ZN18 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.55
TACR1 P25103 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL2850143 0.92 CCR1 (0.85) HPGDCCR1NPSR1KDM4ENPC1
SCHEMBL2854060 0.88 KDM4E (0.65) HPGDCCR1KDM4EMAPTPOLB
SCHEMBL2856222 0.85 MAPT (0.67) HPGDCCR1MAPTPOLB
SCHEMBL2856089 0.85 HPGD (1.00) HPGDCCR1EEDRBBP4SUZ12
SCHEMBL5678637 0.83 CCR1 (1.00) HPGDCCR1NPSR1KDM4EHSP90AA1
SCHEMBL2855614 0.82 CCR1 (0.50) HPGDCCR1NPSR1KDM4ETACR1
SCHEMBL2850396 0.82 KDM4E (0.60) HPGDCCR1KDM4EMAPTPOLB
SCHEMBL2854061 0.82 HPGD (0.84) HPGDCCR1EEDRBBP4SUZ12
SCHEMBL25781800 0.80 CCR1 (0.54) CCR1TACR1
SCHEMBL2857071 0.80 CCR1 (0.57) CCR1KDM4ETACR1

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