SCHEMBL29640169

SCHEMBL29640169

NC(=O)N1CCC12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.32
PARP1 P09874 1/20 0.32
NAMPT P43490 1/20 0.32
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL30875892 0.88 NAMPT (0.40) KDM4EKMT2ACYP1A2NAMPTHRH3
SCHEMBL29711975 0.88 NAMPT (0.34) KDM4EKMT2ANAMPT
SCHEMBL16440060 0.84
SCHEMBL15758654 0.81 CYP1A2 (0.33) KDM4EKMT2ACYP1A2PARP1NAMPT
SCHEMBL20791651 0.80 LTA4H (0.32)
SCHEMBL18828724 0.77 NAMPT (0.43) KDM4EKMT2ANAMPT
Hydrochloric Acid SCHEMBL3662738 0.75 KDM4E (0.35) KDM4EKMT2A
SCHEMBL30184062 0.75 CYP1A2 (0.39) KDM4EKMT2ACYP1A2PARP1NAMPT
SCHEMBL31622199 0.74 KDM4E (0.30) KDM4E
SCHEMBL31276193 0.73 SOS1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed