SCHEMBL8327904

SCHEMBL8327904

[c]1[nH]c2ccccc2c1-c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.44
NPC1 O15118 10/20 0.44
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
ILK Q13418 4/20 0.43
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GLA P06280 2/20 0.43
APP P05067 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL5744633 0.73 RAB9A (0.47) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3599781 0.72 NPC1 (0.49) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL827403 0.72 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17376382 0.71 CYP1A2 (0.49) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4850129 0.71 ADORA3 (0.50) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL162342 0.71 RAB9A (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3497582 0.71 NQO1 (0.43) APP
Hydrogen Sulfide SCHEMBL16859912 0.70 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6301542 0.70 NPC1 (0.58) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3144177 0.70 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP claimed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO claimed
CN-112367982-B Amide compounds, compositions and methods of treatment as kinase inhibitors 转化药物开发有限责任公司 2024-05-07 CN disclosed
CN-117355299-A Substituted 2- (2, 6-dioxopiperidin-3-yl) -5- (1-piperidin-4-yl) isoindoline-1, 3-dione derivatives and uses thereof 尼奥莫夫公司 2024-01-05 CN disclosed