SCHEMBL24011391

SCHEMBL24011391

COc1ccc(CNC(O)NC2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ EPHX2 P34913 6/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ P2RX7 Q99572 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL24011602 0.85 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2EPHX2CHRM4P2RX7
SCHEMBL26633704 0.77 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2EPHX2CHRM4P2RX7
SCHEMBL24011682 0.74 PRKAB2 (0.56) ALDH1A1SMN1; SMN2TSHR
SCHEMBL15453396 0.70 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRTDP1MAPT
SCHEMBL24011270 0.70 PKM (0.45) ALDH1A1MAPTLMNA
SCHEMBL24011567 0.70 PKM (0.43) ALDH1A1SMN1; SMN2TSHRMAPTLMNA
SCHEMBL30924146 0.70 ACKR3 (0.53) ALDH1A1SMN1; SMN2EPHX2CHRM4P2RX7
SCHEMBL30924072 0.69 EPHX2 (0.67) ALDH1A1SMN1; SMN2EPHX2CHRM4
SCHEMBL24011702 0.69 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL24011701 0.69 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2

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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