SCHEMBL27903712

SCHEMBL27903712

O=C(NF)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 6/20 0.59
▸ MRGPRX4 Q96LA9 1/20 0.58
▸ F2 P00734 2/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ NR4A2 P43354 2/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL27921603 0.85 CYP3A4 (0.51) SMPD1F2NR4A2
SCHEMBL4638462 0.83 F2 (0.68) MRGPRX4F2NPC1MAPTNR4A2
SCHEMBL9186121 0.83 MAOB (0.74) MRGPRX4F2
SCHEMBL27921579 0.82 NR4A2 (0.75) SMPD1MRGPRX4NPC1NR4A2RAB9A
SCHEMBL9185100 0.81 MRGPRX4 (0.58) MRGPRX4F2MAPTNR4A2RAB9A
SCHEMBL27921608 0.81 MAOB (0.54) SMPD1MRGPRX4NR4A2NR1H4
SCHEMBL9599197 0.79 MRGPRX4 (0.55) MRGPRX4F2NR4A2
SCHEMBL9577709 0.79 MRGPRX4 (0.55) SMPD1MRGPRX4F2NR4A2
SCHEMBL9079254 0.79 MAPT (0.59) MRGPRX4F2NPC1MAPTNR4A2
SCHEMBL27921581 0.79 MRGPRX4 (0.60) SMPD1MRGPRX4NPC1NR4A2RAB9A

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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