SCHEMBL20032080

SCHEMBL20032080

CCCc1ccc(CC(CC)Nc2ccccc2NCCN)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
FERMT2 Q96AC1 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
PPARG P37231 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL20661549 0.81 IDO1 (0.41) GAAALDH1A1PPARGNPC1TP53
SCHEMBL19214769 0.81 FERMT2 (0.42) CA12CA3CA4CA6CA5A
SCHEMBL20661471 0.77 NPC1 (0.33) HSD17B10NPC1TP53PKMRAB9A
SCHEMBL20661522 0.71 HRH3 (0.43) ALDH1A1TSHRNPC1RAB9AKDM4E
SCHEMBL20661465 0.70 SLC6A4 (0.40) HSD17B10ALDH1A1NPC1TP53PKM
SCHEMBL20661500 0.69 SLC6A4 (0.52) ALDH1A1SIGMAR1
SCHEMBL20661548 0.68 CYP1A2 (0.37) ALDH1A1TSHRRECQLPPARGKDM4E
SCHEMBL20661538 0.67 SMN1; SMN2 (0.41) ALDH1A1TSHRNPC1TP53PKM
SCHEMBL15316716 0.66 SMN1; SMN2 (0.40) HSD17B10ALDH1A1TSHRNPC1TP53
SCHEMBL20661479 0.66 SMN1; SMN2 (0.39) SMN1; SMN2

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed