SCHEMBL20062891

SCHEMBL20062891

c1ccc(-c2cc3c(cc2-c2ccccc2)N(c2cccnc2)C(=C2N(c4cccnc4)c4cc(-c5ccccc5)c(-c5ccccc5)cc4N2c2cccnc2)N3c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40

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
SCHEMBL18905735 0.82 BACE1 (0.39) HTTNPC1RAB9AGAAALDH1A1
SCHEMBL20062908 0.81 NOTUM (0.43) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL20062887 0.81 HTT (0.56) HTTNPC1RAB9AGAAALDH1A1
SCHEMBL20072104 0.79 HTT (0.41) HTTNPC1RAB9AGAAALDH1A1
SCHEMBL20062884 0.78 CYP2A6 (0.50) HTTGAAALDH1A1L3MBTL1CHRNB2
SCHEMBL20062900 0.71 CYP11B2 (0.46) HTTNPC1RAB9AALDH1A1MAPT
SCHEMBL20062895 0.71 ALDH1A1 (0.44) HTTNPC1RAB9AGAAALDH1A1
SCHEMBL29644725 0.70 HTT (0.67) HTTNPC1RAB9AGAAALDH1A1
SCHEMBL9974947 0.70 CYP2A6 (0.62) NPC1RAB9AALDH1A1MAPTHSD17B10
SCHEMBL9974924 0.70 CYP2A6 (0.62) NPC1RAB9AALDH1A1MAPTHSD17B10

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