SCHEMBL6862382

SCHEMBL6862382

OC(c1ccc(Cl)cc1)c1ccc2nccc(-c3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.51
CNR1 P21554 6/20 0.49
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
GRM4 Q14833 1/20 0.40
CYP19A1 P11511 1/20 0.39
CAMKK1 Q8N5S9 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
Hydrochloric Acid SCHEMBL6870813 0.85 PIK3CA (0.50) PIK3CACNR1MAPK1MAPKAPK2GRM4
SCHEMBL8956040 0.82 PIK3CA (0.62) PIK3CAMAPK1HPGDMAPKAPK2GRM4
Acetic Acid SCHEMBL27408297 0.79 PIK3CA (0.55) PIK3CAMAPK1MAPKAPK2GRM4CAMKK1
SCHEMBL6862365 0.78 PIK3CA (0.51) PIK3CACNR1MAPK1HPGDMAPKAPK2
SCHEMBL16633077 0.75 RORC (0.49) HPGD
SCHEMBL5653842 0.73 PIK3CA (0.62) PIK3CAHPGDCYP19A1CAMKK1CAMKK2
SCHEMBL756718 0.73 GRM4 (0.64) PIK3CAMAPK1GRM4
Nitric Acid SCHEMBL6873528 0.73 FNTA (0.58) CNR1MAPK1HPGDCYP19A1
SCHEMBL9709110 0.73 PIK3CA (0.87) PIK3CAMAPKAPK2CAMKK1CAMKK2
SCHEMBL28104399 0.73 ACVR1 (0.50) PIK3CAMAPK1HPGDGRM4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
CN-1101391-C Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2003-02-12 CN disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP disclosed
EP-1019395-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed
CN-1200732-A Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 1998-12-02 CN disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed