SCHEMBL24011242

SCHEMBL24011242

COc1ccc(CNC(O)NC2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.46
▸ CCR3 P51677 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ RBP4 P02753 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL24011148 0.85 RAB9A (0.54) SIGMAR1CCR3RAB9AEPHX2POLB
SCHEMBL13826421 0.78 RBP4 (0.53) SIGMAR1EPHX2LIPEPOLBALDH1A1
SCHEMBL26633717 0.76 RAB9A (0.48) SIGMAR1CCR3RAB9AEPHX2MEN1
SCHEMBL16002995 0.76 RBP4 (0.55) SIGMAR1EPHX2LIPEPOLBALDH1A1
SCHEMBL24011158 0.72 NPC1 (0.57) SIGMAR1CCR3RAB9AEPHX2ALDH1A1
SCHEMBL24011241 0.71 CCR3 (0.60) SIGMAR1CCR3RAB9AEPHX2ALDH1A1
SCHEMBL24011151 0.71 NPC1 (0.58) SIGMAR1CCR3RAB9AEPHX2MEN1
SCHEMBL24011682 0.70 PRKAB2 (0.56) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL24011159 0.70 SMN1; SMN2 (0.57) SIGMAR1CCR3RAB9AEPHX2ALDH1A1
SCHEMBL24011556 0.70 ACHE (0.49) MEN1KMT2APOLBALDH1A1SMN1; 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
Send feedback