SCHEMBL21291686

SCHEMBL21291686

Cn1c(-c2cc3ccc(N4CCN(C(=O)O)CC4)cc3oc2=O)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ HPGD P15428 4/20 0.60
▸ GAA P10253 3/20 0.60
▸ GLA P06280 2/20 0.60
▸ CASP1 P29466 2/20 0.60
▸ CASP7 P55210 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 3/20 0.59
▸ TP53 P04637 2/20 0.59
▸ KMT2A Q03164 5/20 0.58
▸ S1PR4 O95977 1/20 0.58
▸ S1PR1 P21453 1/20 0.58
▸ MEN1 O00255 4/20 0.56
▸ ATM Q13315 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HCRTR1 O43613 1/20 0.56

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
SCHEMBL15086126 0.87 KDM4E (0.55) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL12611511 0.78 NPC1 (0.79) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL29635856 0.77 NPC1 (1.00) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL4386113 0.77 NPC1 (1.00) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL15068821 0.75 DGAT1 (0.48) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL24176816 0.74 NPC1 (1.00) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL13478602 0.74 NPC1 (0.72) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL4506209 0.74 NPC1 (0.78) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL31022419 0.74 NPC1 (0.78) NPC1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL29582969 0.73 MAPT (0.98) NPC1KDM4ERAB9ASMN1; SMN2HPGD

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
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 — — EP claimed
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