SCHEMBL2856450

SCHEMBL2856450

Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.74
CCR1 P32246 6/20 0.66
P2RX7 Q99572 1/20 0.59
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
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK11 Q15759 2/20 0.53
MAPK14 Q16539 2/20 0.53
PKM P14618 2/20 0.52

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
SCHEMBL2850617 0.87 HPGD (0.84) HPGDCCR1EEDRBBP4SUZ12
SCHEMBL2856089 0.86 HPGD (1.00) HPGDCCR1EEDRBBP4SUZ12
SCHEMBL2857636 0.84 KDM4E (0.61) HPGDCCR1P2RX7SMN1; SMN2POLB
SCHEMBL2854397 0.83 HPGD (0.72) HPGDCCR1P2RX7EEDRBBP4
SCHEMBL2854061 0.83 HPGD (0.84) HPGDCCR1EEDRBBP4SUZ12
SCHEMBL2858313 0.82 P2RX7 (0.56) HPGDCCR1P2RX7NPC1RAB9A
SCHEMBL2850143 0.80 CCR1 (0.85) HPGDCCR1NPC1RAB9APOLB
SCHEMBL2854119 0.79 HPGD (0.73) HPGDCCR1EEDRBBP4SUZ12
SCHEMBL5676751 0.78 CCR1 (0.54) HPGDCCR1NPC1RAB9ASMN1; SMN2
SCHEMBL2854347 0.78 HPGD (0.84) HPGDCCR1NPC1RAB9AMEN1

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