SCHEMBL8475741

SCHEMBL8475741

Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(Oc2cc(C(F)(F)F)nn2C)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TGFBR1 P36897 2/20 0.37
SCN9A Q15858 9/20 0.37
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL7252609 0.91 KMT2A (0.46) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL7245294 0.89 SCN9A (0.40) ADORA2AADORA1KMT2ASCN9AALOX5
SCHEMBL5221402 0.86 KMT2A (0.47) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL6609513 0.86 KMT2A (0.38) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL8479783 0.85 MMP13 (0.39) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL6610715 0.85 ADORA2A (0.39) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL7077095 0.84 KMT2A (0.46) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL8932322 0.84 KMT2A (0.44) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL8481120 0.83 GRM5 (0.40) ADORA2AADORA1KMT2AKDM4ELMNA
SCHEMBL6280223 0.82 ADORA2A (0.50) ADORA2AADORA1KMT2AKDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922738-A Heteroarylpyridine herbicides AMERICAN CYANAMID COMPANY (US) 1999-07-13 US claimed
JP-10139605-A None JP disclosed
US-5922738-A Heteroarylpyridine herbicides AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
JP-H10139605-A HETEROARYLPYRIDINE HERBICIDE AMERICAN CYANAMID CO 1998-05-26 JP disclosed