SCHEMBL9804874

SCHEMBL9804874

C=C(Cl)CC(C#N)(Cc1cnccn1)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 0.31
CYP19A1 P11511 3/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL9804740 0.84 KCNH3 (0.36) USP2RAB9ACYP19A1
SCHEMBL9804704 0.80 KDM4E (0.34) RORCKDM4EALDH1A1HPGDUSP2
SCHEMBL9804885 0.77 KDM4E (0.32) RORCKDM4EALDH1A1HPGD
SCHEMBL9804872 0.75 TERT (0.38) RORCKDM4EALDH1A1HPGDKMT2A
SCHEMBL9804963 0.71 CYP19A1 (0.42) KDM4EALDH1A1HPGDKMT2ACYP19A1
SCHEMBL9804889 0.70 CYP1A2 (0.37) KDM4E
SCHEMBL11100258 0.69 RAB9A (0.39) RORCKDM4EALDH1A1HPGDUSP2
SCHEMBL9804742 0.69 CYP19A1 (0.39) KDM4EALDH1A1KMT2ACYP19A1
SCHEMBL9804782 0.69 CYP19A1 (0.39) KDM4EALDH1A1HPGDCYP19A1
SCHEMBL9804805 0.68 CYP19A1 (0.40) KDM4EALDH1A1HPGDKMT2ACYP19A1

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-0276920-B1 (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed