SCHEMBL6227985

SCHEMBL6227985

CC(=Nc1ccccc1C(F)(F)F)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TNF P01375 1/20 0.44
CXCL8 P10145 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL7261951 1.00 KDM4E (0.53) KDM4ECTNNB1WNT3ANOS3NOS1
Hydrochloric Acid SCHEMBL14632786 0.86 NOS3 (0.44) KDM4ECTNNB1WNT3ANOS3NOS1
SCHEMBL15828354 0.86 KDM4E (0.54) KDM4ETDP1GAAKMT2AMEN1
SCHEMBL17620785 0.86 KDM4E (0.54) KDM4ETDP1GAAKMT2AMEN1
SCHEMBL2227370 0.86 NOS3 (0.47) KDM4ECTNNB1WNT3ANOS3NOS1
SCHEMBL2227367 0.86 NOS3 (0.47) KDM4ECTNNB1WNT3ANOS3NOS1
SCHEMBL28026184 0.84 KDM4E (0.53) KDM4ETDP1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL14632785 0.83 NOS3 (0.47) KDM4ENOS3NOS1NOS2KMT2A
SCHEMBL24404238 0.80 NOS3 (0.42) CTNNB1WNT3ANOS3NOS1NOS2
SCHEMBL21113676 0.80 NOS3 (0.42) CTNNB1WNT3ANOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325924-B1 Chromium catalysts active in olefin polymerisation REPSOL QUIMICA SA (ES) 2005-03-16 EP disclosed
US-6653353-B2 Hair styling anionic polymer and fluoroamines mixture improves the holding power of styling resins under high humidity conditions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-11-25 US disclosed
US-20020176834-A1 Cosmetic and personal care compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-11-28 US disclosed