SCHEMBL29632578

SCHEMBL29632578

COc1ccnc(O)c1-c1ccno1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP19A1 P11511 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 1/20 0.36
EPHX2 P34913 1/20 0.34
ILK Q13418 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPT P10636 4/20 0.31
TP53 P04637 2/20 0.31
PLAU P00749 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 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
SCHEMBL24936302 1.00 KDM4E (0.36) KDM4EALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL29788605 0.77 MEN1 (0.47) KDM4EALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL28548601 0.77 MEN1 (0.47) KDM4EALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL24936306 0.71 MAPT (0.35) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL29045194 0.70 CYP1A2 (0.35) KDM4EGAASMN1; SMN2CYP1A2CYP19A1
SCHEMBL29632631 0.67 CYP1A2 (0.52) KDM4EALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL23084830 0.67 KDM4E (0.45) KDM4EALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL8244559 0.66 IKBKB (0.44) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL18955276 0.66 CYP1A2 (0.43) KDM4EALDH1A1GAACYP1A2CYP19A1
SCHEMBL2093729 0.66 CYP1A2 (0.62) KDM4EALDH1A1GAASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403571-A Therapeutic agent for cancer having therapeutic resistance to immune checkpoint inhibitor 住友制药株式会社 2025-02-07 CN disclosed
CN-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN disclosed
WO-2022114189-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE 住友ファーマ株式会社 2022-06-02 WO disclosed