SCHEMBL24011627

SCHEMBL24011627

COc1ccc(CNC(O)NC2CCC(C(=O)N3CCN(Cc4ccccn4)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL24011321 0.86 MCHR1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24011556 0.82 ACHE (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL24011270 0.80 PKM (0.45) ALDH1A1KDM4EMTNR1BL3MBTL1
SCHEMBL24011567 0.79 PKM (0.43) SMN1; SMN2ALDH1A1KDM4EMTNR1BPOLB
SCHEMBL26633908 0.78 MCHR1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24011413 0.75 PKM (0.39) KMT2ASMN1; SMN2ALDH1A1KDM4EMMP1
SCHEMBL24011251 0.74 ADAM17 (0.47) ALDH1A1OPRM1
SCHEMBL24011636 0.74 ADAM17 (0.46) MEN1KMT2AALDH1A1OPRM1
SCHEMBL24011363 0.73 LMNA (0.54) KMT2AALDH1A1KDM4EOPRM1L3MBTL1
SCHEMBL24011320 0.73 MCHR1 (0.61) SMN1; SMN2KDM4EMTNR1BCYP3A4CYP2D6

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
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — WO disclosed
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