SCHEMBL30142479

SCHEMBL30142479

COc1ccc(C(CNC(=O)N2Cc3ccccc3C2)N(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 2/20 0.57
OPRM1 P35372 8/20 0.56
OPRD1 P41143 8/20 0.56
MEN1 O00255 3/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
NAMPT P43490 4/20 0.55
ATM Q13315 1/20 0.52
LMNA P02545 1/20 0.49

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
SCHEMBL19926220 1.00 KMT2A (0.59) KMT2AALDH1A1OPRM1OPRD1MEN1
Hydrochloric Acid SCHEMBL19925893 0.99 KMT2A (0.58) KMT2AALDH1A1OPRM1OPRD1MEN1
SCHEMBL30142531 0.91 OPRM1 (0.60) KMT2AALDH1A1OPRM1OPRD1MEN1
SCHEMBL19925981 0.91 OPRM1 (0.60) KMT2AALDH1A1OPRM1OPRD1MEN1
SCHEMBL30142388 0.88 OPRM1 (0.52) KMT2AOPRM1OPRD1MEN1GAA
SCHEMBL30142389 0.88 OPRM1 (0.52) KMT2AOPRM1OPRD1MEN1GAA
SCHEMBL19925917 0.88 OPRM1 (0.52) KMT2AOPRM1OPRD1MEN1GAA
SCHEMBL19926148 0.87 OPRM1 (0.56) KMT2AALDH1A1OPRM1OPRD1MEN1
SCHEMBL30142503 0.87 OPRM1 (0.56) KMT2AALDH1A1OPRM1OPRD1MEN1
Hydrochloric Acid SCHEMBL19926269 0.87 OPRM1 (0.51) KMT2AOPRM1OPRD1MEN1GAA

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-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN disclosed