SCHEMBL16627104

SCHEMBL16627104

C=C/C=C(C)\C=C/CNc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA4 P22748 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 3/20 0.39

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
SCHEMBL3073288 0.80 CA12 (0.56) CA12CA4CA7CA9CA14
SCHEMBL3068473 0.80 CA12 (0.49) CA12CA4CA7CA9CA14
SCHEMBL11236990 0.75 MAPT (0.51) CA12CA4CA7CA9CA14
SCHEMBL31497264 0.74 KMT2A (0.59) CA12CA4CA7CA9CA14
SCHEMBL896623 0.74 KMT2A (0.59) CA12CA4CA7CA9CA14
SCHEMBL24766141 0.72 KMT2A (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL21727687 0.70 MAPT (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL12657414 0.69 KISS1R (0.32)
SCHEMBL19119670 0.68 CA12 (0.55) CA12CA4CA7CA9CA14
SCHEMBL461067 0.66 KMT2A (0.50) CA12CA4CA7CA9CA14

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
WO-2015050253-A1 ANILINE DERIVATIVES AND USES THEREOF 日産化学工業株式会社 2015-04-09 WO disclosed