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SCHEMBL9140271

SCHEMBL9140271

CC(C)OC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ P4HTM Q9NXG6 4/20 0.53
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ BCL2L1 Q07817 4/20 0.48
▸ MCL1 Q07820 4/20 0.48
▸ RECQL P46063 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9140862 0.92 RAB9A (0.57) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL8868613 0.91 RAB9A (0.50) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL9143465 0.91 RAB9A (0.53) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL9141114 0.90 NPC1 (0.54) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL9140209 0.89 P4HTM (0.67) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL9138999 0.89 P4HTM (0.53) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL9140133 0.89 HPGD (0.49) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL9140269 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2P4HTMHPGD
SCHEMBL9139108 0.88 P4HTM (0.54) NPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL9138664 0.87 P4HTM (0.52) SMN1; SMN2P4HTMHPGDALDH1A1

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
US-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 — — US disclosed