SCHEMBL2852810

SCHEMBL2852810

O=C(NCCc1ccccc1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
P2RX7 Q99572 1/20 0.45
SCD O00767 2/20 0.44
DCTPP1 Q9H773 1/20 0.44
DDR1 Q08345 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
DDR2 Q16832 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
MAP3K2 Q9Y2U5 1/20 0.43
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL2852183 0.84 TAAR1 (0.44) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2852043 0.83 KDM4E (0.70) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2853014 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2855376 0.82 CCR1 (0.60) HPGDGAA
SCHEMBL2856252 0.80 P2RX1 (0.49)
SCHEMBL2859017 0.79 MAPT (0.69) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2858927 0.79 KDM4E (0.61) KDM4EALDH1A1MAPTSMN1; SMN2P2RX7
SCHEMBL2856467 0.79 P2RX7 (0.51) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2848180 0.79 CCR1 (0.51) KDM4EALDH1A1DDR1MAPK11MAPK14
SCHEMBL2856156 0.79 MAPT (0.58) KDM4EALDH1A1MAPTNPC1RAB9A

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