SCHEMBL6868787

SCHEMBL6868787

O=C(C=C(c1ccccc1)c1ccccc1)Nc1ccc(Cc2ccccc2-n2ccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ACP1 P24666 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP3A4 P08684 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
NAMPT P43490 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP24A1 Q07973 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTAFR P25105 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL6872760 0.83 MMP1 (0.49) MAPK1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9836179 0.76 IDO1 (0.53) ALDH1A1LMNAMAPK1CYP19A1CYP3A4
SCHEMBL9760996 0.74 CYP3A4 (0.40) PORCNALDH1A1CYP19A1CYP3A4MEN1
SCHEMBL667348 0.72 LMNA (0.50) ALDH1A1LMNAMAPK1CYP19A1CYP3A4
SCHEMBL9759953 0.72 IDO1 (0.41) PORCNALDH1A1HPGDCYP3A4MEN1
SCHEMBL9760168 0.71 IDO1 (0.39) ALDH1A1CYP3A4MEN1KMT2AIDO1
SCHEMBL5565487 0.71 CYP26A1 (0.59) ALDH1A1HPGDMAPK1CYP19A1CYP3A4
SCHEMBL9760689 0.69 CYP3A4 (0.39) ALDH1A1LMNACYP19A1CYP3A4MEN1
SCHEMBL9195914 0.69 CYP3A4 (0.38) ALDH1A1LMNACYP19A1CYP3A4MEN1
SCHEMBL27999214 0.69 CYP19A1 (0.50) ALDH1A1LMNAMAPK1CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP claimed
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP 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
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed