SCHEMBL2853349

SCHEMBL2853349

O=C(NCc1cc(F)cc(C(F)(F)F)c1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TACR1 P25103 2/20 0.43
RIPK1 Q13546 1/20 0.43
NAMPT P43490 1/20 0.41
CYP3A4 P08684 4/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.40
VNN1 O95497 1/20 0.40

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
SCHEMBL2857073 0.94 CCR1 (0.48) CCR1KDM4EALDH1A1POLBMAPT
SCHEMBL2852356 0.93 CCR1 (0.48) CCR1KDM4ECYP3A4MAPK1VNN1
SCHEMBL2863210 0.89 CCR1 (0.50) CCR1KDM4EMAPTTACR1MAPK1
SCHEMBL2860247 0.88 CCR1 (0.59) CCR1KDM4EALDH1A1POLBMAPT
SCHEMBL2854847 0.87 ALDH1A1 (0.48) CCR1KDM4EALDH1A1POLBMAPT
SCHEMBL2857994 0.87 MTOR (0.46) CCR1KDM4EALDH1A1MAPTTDP1
SCHEMBL2852454 0.87 KDM4E (0.48) CCR1KDM4EALDH1A1POLBMAPT
SCHEMBL2861243 0.87 KDM4E (0.52) CCR1KDM4EALDH1A1POLBMAPT
SCHEMBL2854804 0.85 MAPK1 (0.48) CCR1KDM4EALDH1A1POLBMAPT
SCHEMBL2860715 0.85 ALDH1A1 (0.46) CCR1KDM4EALDH1A1POLBMAPT

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 1 patent. 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