SCHEMBL24011323

SCHEMBL24011323

COc1ccc(CNC(O)NC2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.47
▸ CCR3 P51677 2/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.46
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ P2RX7 Q99572 2/20 0.42
▸ PRKAA2 P54646 2/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42

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
SCHEMBL24011234 0.85 NPC1 (0.54) HRH1CCR3SIRT5RAB9ANPC1
SCHEMBL24011682 0.78 PRKAB2 (0.56) ALDH1A1SMN1; SMN2PRKAA2PRKAB2PRKAG1
SCHEMBL16000494 0.77 HRH1 (0.51) HRH1CCR3RAB9APKM
SCHEMBL24011556 0.77 ACHE (0.49) ALDH1A1SMN1; SMN2
SCHEMBL24011319 0.77 POLB (0.43) ALDH1A1LMNASMN1; SMN2
SCHEMBL16002987 0.75 HRH1 (0.53) HRH1CCR3RAB9AALDH1A1PKM
SCHEMBL26633674 0.74 SMN1; SMN2 (0.48) SIRT5RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL24011203 0.72 NPC1 (0.60) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL24011230 0.71 EPHX2 (0.61) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL24011333 0.71 NPC1 (0.58) RAB9ANPC1ALDH1A1LMNATP53

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
Send feedback