SCHEMBL27903715

SCHEMBL27903715

Cc1cccc2ccc(COc3cccc(C(=O)NF)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 4/20 0.55
▸ GPBAR1 Q8TDU6 1/20 0.53
▸ POLB P06746 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYSLTR2 Q9NS75 2/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL27921602 0.83 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL27903779 0.81 CYSLTR1 (0.59) CYSLTR1GPBAR1CYSLTR2NR1H4
SCHEMBL27903701 0.75 SMPD1 (0.47) NPC1RAB9ALMNAMAPTHPGD
SCHEMBL10546022 0.74 GPBAR1 (0.65) CYSLTR1GPBAR1
SCHEMBL27903712 0.74 SMPD1 (0.59) POLBNPC1CASP3RAB9ASENP8
SCHEMBL12046916 0.73 CYSLTR1 (0.77) CYSLTR1GPBAR1TP53CYSLTR2NPC1
SCHEMBL28775646 0.72 PPARA (0.60) MAPTHPGDNR1H4
SCHEMBL8172024 0.72 CYSLTR2 (0.82) CYSLTR1CYSLTR2
SCHEMBL27921608 0.71 MAOB (0.54) NR1H4
SCHEMBL27921603 0.71 CYP3A4 (0.51) CYSLTR1GPBAR1

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
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 — — CN claimed
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