SCHEMBL20062918

SCHEMBL20062918

CC(C)(C)c1ccc2c(c1)N(c1cc(C(C)(C)C)nc(C(C)(C)C)c1)/C(=C1\N(c3cc(C(C)(C)C)nc(C(C)(C)C)c3)c3ccc(C(C)(C)C)cc3N1c1cc(C(C)(C)C)nc(C(C)(C)C)c1)N2c1cc(C(C)(C)C)nc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL20062922 0.85 GAA (0.33) HPGDALDH1A1HSD17B10TSHRGAA
SCHEMBL20062928 0.84 HSD17B10 (0.32) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL20062907 0.84 ALDH1A1 (0.36) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL18905704 0.83 ALDH1A1 (0.35) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL20062915 0.83 HPGD (0.38) HPGDALDH1A1HSD17B10TSHRGAA
SCHEMBL20062888 0.81 ALDH1A1 (0.30) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL18905684 0.81 CA9 (0.39) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL18905679 0.81 CA9 (0.39) HPGDALDH1A1ALOX15HSD17B10TDP1
SCHEMBL20062911 0.80 SCN10A (0.32)
SCHEMBL20062894 0.80 CA12 (0.35) HPGDALDH1A1ALOX15TSHRCA12

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-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed