SCHEMBL20006439

SCHEMBL20006439

Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 18/20 0.57
ORAI1 Q96D31 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1879246 0.84 CRACR2A (0.57) CRACR2AORAI1KDM4EALDH1A1HPGD
SCHEMBL31293507 0.84 CRACR2A (0.54) CRACR2AORAI1KDM4EALDH1A1HPGD
SCHEMBL1882360 0.82 CRACR2A (0.46) CRACR2AKDM4EALDH1A1HPGDTSHR
SCHEMBL1668293 0.82 CRACR2A (0.55) CRACR2AORAI1ALDH1A1
SCHEMBL20006307 0.81 CRACR2A (0.66) CRACR2AORAI1
SCHEMBL1880912 0.81 CRACR2A (0.56) CRACR2AORAI1KDM4EALDH1A1HPGD
SCHEMBL1668011 0.80 CRACR2A (0.70) CRACR2AORAI1
SCHEMBL1882594 0.79 CRACR2A (0.55) CRACR2AORAI1ALDH1A1
SCHEMBL1671173 0.79 CRACR2A (0.39) CRACR2AALDH1A1
SCHEMBL14881344 0.78 ALDH1A1 (0.42) CRACR2AORAI1KDM4EALDH1A1HPGD

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-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP disclosed