SCHEMBL7995185

SCHEMBL7995185

COC(=O)c1nc(C)[nH]c1-c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
POLB P06746 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HPGD P15428 2/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
ALPL P05186 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TARBP2 Q15633 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 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
SCHEMBL14705875 0.88 SMN1; SMN2 (0.49) ALDH1A1KMT2AKDM4EHSD17B10NPSR1
SCHEMBL7989981 0.82 ALDH1A1 (0.47) ALDH1A1POLBKMT2AKDM4EHSD17B10
SCHEMBL7977822 0.82 KDM4E (0.47) ALDH1A1KMT2AKDM4EHSD17B10HPGD
SCHEMBL28576641 0.81 ERCC1 (0.60) ALDH1A1KMT2AKDM4EHSD17B10NPSR1
SCHEMBL7987871 0.77 RAB9A (0.43) ALDH1A1POLBKMT2AKDM4EHSD17B10
SCHEMBL7995274 0.76 ALDH1A1 (0.42) ALDH1A1POLBKMT2AKDM4EHSD17B10
SCHEMBL7995385 0.76 MMP2 (0.51) ALDH1A1POLBKMT2AKDM4EHSD17B10
SCHEMBL7977922 0.76 ALDH1A1 (0.42) ALDH1A1POLBKMT2AKDM4EHSD17B10
SCHEMBL7988684 0.74 RAB9A (0.59) ALDH1A1POLBKMT2AKDM4ERAB9A
SCHEMBL6494078 0.73 TARBP2 (0.56) ALDH1A1KMT2AKDM4EHSD17B10NPSR1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed