SCHEMBL2852015

SCHEMBL2852015

O=C(NCc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.63
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.58
DDR1 Q08345 1/20 0.58
MAPK11 Q15759 1/20 0.58
MAPK14 Q16539 1/20 0.58
DDR2 Q16832 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
MAP3K20 Q9NYL2 1/20 0.58
MAP3K2 Q9Y2U5 1/20 0.58
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR2 P34972 1/20 0.53
TRPC3 Q13507 1/20 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
SCHEMBL2855315 0.96 KDM4E (0.65) CCR1KDM4EALDH1A1HPGDDDR1
SCHEMBL2860213 0.92 KDM4E (0.73) CCR1KDM4EALDH1A1HPGDDDR1
SCHEMBL2855580 0.90 CCR1 (0.62) CCR1KDM4EALDH1A1DDR1MAPK11
SCHEMBL2856181 0.90 CCR1 (0.56) CCR1KDM4EALDH1A1DDR1MAPK11
SCHEMBL2850153 0.90 KDM4E (0.63) CCR1KDM4EALDH1A1HPGDDDR1
SCHEMBL2852896 0.90 KDM4E (0.63) CCR1KDM4EALDH1A1HPGDDDR1
SCHEMBL2853014 0.89 KDM4E (0.60) CCR1KDM4EALDH1A1DDR1MAPK11
SCHEMBL2859933 0.89 CCR1 (0.80) CCR1HPGDMAPTMEN1KMT2A
SCHEMBL2862276 0.88 CCR1 (0.70) CCR1KDM4EALDH1A1HPGDMAPT
SCHEMBL2855565 0.87 CCR1 (0.66) CCR1KDM4EALDH1A1MAPTTRPC3

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