Sugi Predict

Sugi Predict / Compounds / SCHEMBL6879583

SCHEMBL6879583

SCHEMBL6879583

OCC=C(F)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGDS O60760 14/20 0.43
▸ CYP11B1 P15538 1/20 0.36
▸ LDHA P00338 1/20 0.35

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
SCHEMBL6879577 1.00 NPC1 (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6879580 1.00 NPC1 (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6854189 0.79 NPC1 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6854185 0.79 NPC1 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL7033287 0.78 HDAC4 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL7033286 0.78 HDAC4 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL6869730 0.77 ADRB2 (0.43) NPC1RAB9A
SCHEMBL6869726 0.77 ADRB2 (0.43) NPC1RAB9A
SCHEMBL6877431 0.77 ADRB2 (0.43) NPC1RAB9A
SCHEMBL28825254 0.77 HDAC3 (0.36) NPC1RAB9ASMN1; 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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 — — US disclosed