SCHEMBL19005462

SCHEMBL19005462

C=CC(C)Nc1cccc(NC(C)C=C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
AR P10275 1/20 0.34
KCNH3 Q9ULD8 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
CA14 Q9ULX7 3/20 0.31
MMP2 P08253 2/20 0.31

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
SCHEMBL19005461 0.88 MEN1 (0.35) TDP1MEN1KMT2A
SCHEMBL19005458 0.85 MEN1 (0.36) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL27337982 0.84 TDP1 (0.56) TDP1MEN1KMT2AALDH1A1KCNH3
SCHEMBL2350755 0.84 TDP1 (0.56) TDP1MEN1KMT2AALDH1A1KCNH3
SCHEMBL9313156 0.74 TDP1 (0.67) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11403413 0.72 MAPT (0.35) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL9174069 0.72 GAA (0.44) ALDH1A1HSD17B10CYP3A4ALOX15LMNA
SCHEMBL3290810 0.72 TDP1 (0.32) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL6653366 0.69 TDP1 (0.48) TDP1MEN1KMT2AALDH1A1KCNH3
SCHEMBL21469043 0.67 TGM2 (0.59) LMNATGM2

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-20170174537-A1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2017-06-22 US disclosed