SCHEMBL8573310

SCHEMBL8573310

CCCCc1c(-c2ccc(NC(=O)c3ccccc3)nc2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MTTP P55157 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ DEGS1 O15121 2/20 0.35
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL8573431 0.91 L3MBTL1 (0.34) NPC1RAB9A
SCHEMBL8573316 0.89 TRPV1 (0.40) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8573033 0.85 NPC1 (0.37) NPC1RAB9AMTTPMAPTSMN1; SMN2
SCHEMBL8574848 0.85 FLT3 (0.40) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8572056 0.84 NR2E1 (0.33) NPC1RAB9A
SCHEMBL8574487 0.82 POLB (0.32) JAK1
SCHEMBL8573038 0.82 GAA (0.42) NPC1RAB9AMAPT
SCHEMBL8573805 0.79 GAA (0.41) NPC1RAB9AMAPT
SCHEMBL8573842 0.78 TRPV1 (0.43) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8500999 0.78 CTSL (0.37) —

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-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 — — US disclosed
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