SCHEMBL19568247

SCHEMBL19568247

Cc1cnc(C(=O)NC23CC(NC(O)COc4ccc(Cl)cc4)(C2)C3)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ATF4 P18848 8/20 0.46
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ATM Q13315 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
SCHEMBL19555965 0.83 ATF4 (0.69) NPC1RAB9AATF4HPGDMAPT
SCHEMBL25781240 0.82 NPC1 (0.42) NPC1RAB9AATF4HPGDMAPT
SCHEMBL19555914 0.72 ATF4 (0.52) ATF4HPGDMAPTKDM4EHTT
SCHEMBL25804554 0.72 ATF4 (0.46) NPC1RAB9AATF4HPGDMAPT
SCHEMBL22956631 0.72 ATF4 (0.42) ATF4
SCHEMBL19556349 0.71 ATF4 (0.63) NPC1RAB9AATF4KDM4EKMT2A
SCHEMBL19555766 0.71 ATF4 (0.66) NPC1RAB9AATF4MAPTKDM4E
SCHEMBL19556252 0.70 ATF4 (0.61) NPC1RAB9AATF4SMN1; SMN2
SCHEMBL24322775 0.69 NPC1 (0.53) NPC1HPGDHSD17B10KMT2AMEN1
SCHEMBL23149119 0.69 ATF4 (0.76) NPC1RAB9AATF4CYP1A2CYP3A4

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-2017193063-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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