SCHEMBL9494686

SCHEMBL9494686

Cc1ccc2c(ccc(=O)n2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
MAPT P10636 1/20 0.50
DAO P14920 2/20 0.47
CYP2A6 P11509 4/20 0.44
BRPF1 P55201 3/20 0.44
CYP1A2 P05177 2/20 0.44
MAPK1 P28482 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.38
ADORA2B P29275 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL9497110 0.86 DAO (0.49) RXFP1MAPTDAOCYP2A6BRPF1
SCHEMBL422084 0.82 BRPF1 (0.65) RXFP1MAPTCYP2A6BRPF1CYP1A2
SCHEMBL9495685 0.77 DAO (0.43) RXFP1DAOCYP2A6BRPF1HTR2A
SCHEMBL24993679 0.77 MAPT (0.46) RXFP1MAPTDAOCYP2A6BRPF1
SCHEMBL20856872 0.77 MAPT (0.42) RXFP1MAPTDAOCYP2A6BRPF1
SCHEMBL9499012 0.77 KDM4E (0.50) MAPTCYP2A6CYP1A2HTR2CALDH1A1
SCHEMBL12910186 0.75 MAPT (0.41) RXFP1MAPTDAOCYP2A6BRPF1
SCHEMBL9310207 0.74 BTK (0.52) RXFP1MAPTCYP2A6BRPF1CYP1A2
SCHEMBL9498050 0.73 LDHA (0.59) DAO
SCHEMBL9497513 0.73 LCK (0.48) MAPTTHRBALDH1A1KDM4ECA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 EP disclosed
US-4761403-A QUINOLONE DERIVATIVES ABBOTT LABORATORIES (US) 1988-08-02 US disclosed
EP-0240859-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1987-10-14 EP disclosed