SCHEMBL9495685

SCHEMBL9495685

O=c1ccc2cc(Cl)ccc2n1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
BRPF1 P55201 5/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
F11 P03951 1/20 0.39
CYP2A6 P11509 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
OXER1 Q8TDS5 1/20 0.39
KMO O15229 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
BRD1 O95696 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GFER P55789 1/20 0.36
CCR2 P41597 1/20 0.36

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
SCHEMBL31202712 0.81 BRPF1 (0.62) BRPF1RXFP1CA12CA9BRD1
SCHEMBL9494686 0.77 RXFP1 (0.50) DAOBRPF1HTR2AHTR2CCYP2A6
SCHEMBL17610037 0.75 CA12 (0.39) BRPF1HTR2AHTR2CRXFP1OXER1
SCHEMBL9499012 0.73 KDM4E (0.50) HTR2CCYP2A6KDM4ELMNAL3MBTL1
SCHEMBL9498050 0.73 LDHA (0.59) DAO
SCHEMBL30042221 0.73 KMO (0.39) HTR2AHTR2CF11CYP2A6OXER1
SCHEMBL347208 0.72 MAPT (0.45) OXER1KMOCCR2
SCHEMBL271495 0.71 CA12 (0.63) DAOBRPF1CA12CA9KDM4E
SCHEMBL2795278 0.70 PTGER4 (0.37) HTR2AHTR2CF11OXER1KMO
SCHEMBL2796941 0.70 MAPT (0.39) OXER1KMOHTTCCR2

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