SCHEMBL2854347

SCHEMBL2854347

Cc1c(C(=O)NCc2ccccc2)cnn1-c1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.84
CCR1 P32246 8/20 0.74
SPR P35270 1/20 0.59
TP53 P04637 2/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
LMNA P02545 1/20 0.58
KDM4E B2RXH2 1/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL2854061 0.95 HPGD (0.84) HPGDCCR1SPRTP53NPC1
SCHEMBL2850603 0.94 HPGD (0.73) HPGDCCR1SPRNPC1RAB9A
SCHEMBL2856089 0.91 HPGD (1.00) HPGDCCR1NPC1RAB9AMEN1
SCHEMBL2857860 0.88 CCR1 (0.75) HPGDCCR1SPRNPSR1MAPT
SCHEMBL2855676 0.86 CCR1 (0.63) HPGDCCR1SPRTP53NPC1
SCHEMBL2857166 0.86 HPGD (0.80) HPGDCCR1TP53NPC1RAB9A
SCHEMBL2852886 0.86 CCR1 (0.62) HPGDCCR1TP53NPC1RAB9A
SCHEMBL2852637 0.84 NR3C1 (0.64) HPGDCCR1TP53NPC1RAB9A
SCHEMBL2852896 0.84 KDM4E (0.63) HPGDCCR1TP53NPC1RAB9A
SCHEMBL2850617 0.83 HPGD (0.84) HPGDCCR1TP53NPC1RAB9A

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