SCHEMBL11411982

SCHEMBL11411982

CCOc1ccc(OCC)c([N+]#N)c1.F[B-](F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
NQO1 P15559 1/20 0.41
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
EPHX1 P07099 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35
HBB P68871 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL11230396 0.93 NQO1 (0.46) KDM4ENQO1ALDH1A1TSHREPHX1
Hydrochloric Acid SCHEMBL9138523 0.92 NQO1 (0.45) KDM4ENQO1ALDH1A1TSHREPHX1
SCHEMBL14588712 0.80 KDM4E (0.47) KDM4ENQO1ALDH1A1TSHREPHX1
SCHEMBL7594694 0.78 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1ATMHSD17B10
SCHEMBL11410888 0.77 KDM4E (0.35) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL11409076 0.75 CA12 (0.48) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL9859916 0.74 NQO1 (0.54) KDM4ENQO1ALDH1A1TSHRNPC1
Trifluoromethanesulfonic Acid SCHEMBL11086410 0.73 TSHR (0.41) ALDH1A1TSHRKMT2ALMNATP53
SCHEMBL3312285 0.73 NR5A1 (0.47) ALDH1A1TSHRTP53
SCHEMBL8974916 0.73 NQO1 (0.44) KDM4ENQO1ALDH1A1TSHRMEN1

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
US-4201588-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, CARBAZIDES OR QUINONES AS PHOTOREDUCTANT; EXTERNAL HYDROGEN SOURCE EASTMAN KODAK COMPANY (US) 1980-05-06 US disclosed