SCHEMBL8190681

SCHEMBL8190681

CC(=O)N(C(C)=C(F)F)c1cc2ccccc2c(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.37
▸ LMNA P02545 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ MGMT P16455 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ LTB4R Q15722 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ SENP5 Q96HI0 1/20 0.35
▸ SENP2 Q9HC62 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 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
SCHEMBL5659575 0.70 CYP19A1 (0.42) CYP19A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8194414 0.66 CYP19A1 (0.41) CYP19A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL29097580 0.65 NPC1 (0.52) LMNAHTTSMN1; SMN2NPC1MAPT
SCHEMBL9409815 0.64 ALOX5 (0.53) LMNAHTTSMN1; SMN2NPC1MAPT
SCHEMBL26022674 0.64 MAOB (0.47) CYP19A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL31190951 0.64 MAOB (0.47) CYP19A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL31632401 0.64 MAOB (0.47) CYP19A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL5579908 0.64 TSPO (0.43) CYP19A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9007594 0.64 MGMT (0.50) CYP19A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL8566311 0.64 MGMT (0.61) LMNAHTTMAPTHPGDMGMT

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-6060608-A ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2000-05-09 — — US disclosed
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