SCHEMBL20062956

SCHEMBL20062956

Cc1nc(N2C(=C3N(c4nc(C)c(C)s4)c4ccccc4N3c3nc(C)c(C)s3)N(c3nc(C)c(C)s3)c3ccccc32)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
PKM P14618 2/20 0.38
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD4 P21917 1/20 0.36
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
NOS1 P29475 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
AR P10275 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL20071965 0.76 USP2 (0.41) ALDH1A1GAANPC1RAB9APKM
SCHEMBL2496995 0.68 NOS1 (0.38) ALDH1A1GAANPC1RAB9APKM
SCHEMBL21652141 0.68 ALDH1A1 (0.48) ALDH1A1GAAUSP2ALOX15DRD4
SCHEMBL21477296 0.64 ALDH1A1 (0.43) ALDH1A1GAAUSP2ALOX15MAPT
SCHEMBL20062940 0.63 HCRTR1 (0.40) ALDH1A1USP2ALOX15SMN1; SMN2HTT
SCHEMBL14196470 0.63 ALDH1A1 (0.41) ALDH1A1GAANPC1RAB9APKM
SCHEMBL20062964 0.63 ALDH1A1 (0.33) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL20062910 0.63 CYP1A2 (0.35) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL1896492 0.63 KAT2B (0.65) ALDH1A1GAANPC1RAB9APKM
SCHEMBL27850183 0.63 NPC1 (0.50) ALDH1A1GAANPC1RAB9APKM

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