SCHEMBL28919601

SCHEMBL28919601

COc1ccc(-c2ccccc2-c2ccn[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.70
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
NOTUM Q6P988 1/20 0.56
ABL1 P00519 1/20 0.53
ABCB1 P08183 1/20 0.53
BCR P11274 1/20 0.53
LTA4H P09960 1/20 0.53
IDO1 P14902 1/20 0.50
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL1186499 0.83 SCN4A (1.00) SCN4ANPC1RAB9ANOTUMLTA4H
SCHEMBL12715050 0.78 ABL1 (0.79) NPC1RAB9AABL1ABCB1BCR
SCHEMBL2300173 0.78 NPC1 (1.00) SCN4ANPC1RAB9ANOTUMLTA4H
SCHEMBL11096260 0.76 ABL1 (0.76) NPC1RAB9AABL1ABCB1BCR
SCHEMBL20004285 0.76 IDO1 (0.56) SCN4ANPC1RAB9ANOTUMIDO1
SCHEMBL11819228 0.74 ABL1 (0.73) NPC1RAB9AABL1ABCB1BCR
SCHEMBL14484688 0.73 SCN4A (0.59) SCN4ANPC1RAB9ANOTUMIDO1
SCHEMBL30225022 0.73 SCN4A (0.67) SCN4ANPC1RAB9ANOTUMLTA4H
SCHEMBL13211660 0.73 ABL1 (0.84) NPC1RAB9AABL1ABCB1BCR
Hydrogen Sulfide SCHEMBL27457713 0.73 ABL1 (0.70) NPC1RAB9AABL1ABCB1BCR

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
CN-113226387-A Biodegradable tissue replacement implants and uses thereof 美国政府(由卫生和人类服务部的部长所代表) 2021-08-06 CN disclosed