SCHEMBL29200592

SCHEMBL29200592

CC(C)(C)NC(=O)OCCCNc1c(N)cc(C(N)=O)cc1OCCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
KDM4E B2RXH2 5/20 0.42
STING1 Q86WV6 3/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAD52 P43351 1/20 0.38
UHRF1 Q96T88 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28517510 0.89 KDM4E (0.43) EPHX2KDM4ESTING1CYP2D6CYP2C9
SCHEMBL29200547 0.89 KDM4E (0.54) EPHX2KDM4ESTING1CYP2D6CYP2C9
SCHEMBL24467571 0.88 KDM4E (0.47) EPHX2KDM4ESTING1CYP2D6CYP2C9
SCHEMBL29200533 0.84 PTGER4 (0.41) KDM4ESTING1ALDH1A1NPC1RAB9A
SCHEMBL29200485 0.82 IRAK4 (0.33) STING1
SCHEMBL29200502 0.81 PDE4A (0.38)
SCHEMBL19451648 0.81 STING1 (0.47) EPHX2KDM4ESTING1CYP2D6CYP2C9
SCHEMBL19437488 0.80 CYP2C9 (0.58) KDM4ESTING1CYP2D6CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL23227989 0.80 STING1 (0.47) EPHX2KDM4ESTING1CYP2D6CYP2C9
SCHEMBL22121239 0.79 STING1 (0.43) EPHX2KDM4ESTING1CYP2D6CYP2C9

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-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed