SCHEMBL29953873

SCHEMBL29953873

OB(O)c1cccnc1N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL15915410 1.00 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19KMT2AMEN1
Hydrochloric Acid SCHEMBL29957554 0.98 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL1519191 0.86 CHIA (0.52) CYP1A2CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL29952663 0.84 CYP1A2 (0.54) CYP1A2CYP2C9KMT2AKDM4EMAPK1
SCHEMBL18342345 0.84 EPHX2 (0.56) ALDH1A1KDM4E
SCHEMBL15743182 0.84 CYP1A2 (0.54) CYP1A2CYP2C9KMT2AKDM4EMAPK1
SCHEMBL29953339 0.84 EPHX2 (0.56) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29955109 0.83 CYP1A2 (0.52) CYP1A2CYP2C9KMT2AKDM4EMAPK1
SCHEMBL2007033 0.78 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL15517279 0.77 CYP2C19 (0.53) CYP1A2CYP2C9CYP2C19KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN claimed
WO-2025129135-A2 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed