SCHEMBL5189602

SCHEMBL5189602

O=c1ccc2ccc3c4ccccc4ccc3c2o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.54
KMT2A Q03164 2/20 0.53
PAX8 Q06710 1/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
NFKB1 P19838 1/20 0.49
TDP1 Q9NUW8 5/20 0.48
LMNA P02545 4/20 0.48
MCL1 Q07820 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
SOST Q9BQB4 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL31419786 0.90 KMT2A (0.58) KMT2APAX8MAOAMAOBNFKB1
SCHEMBL30068472 0.90 KMT2A (0.58) KMT2APAX8MAOAMAOBNFKB1
SCHEMBL2725231 0.90 KMT2A (0.58) KMT2APAX8MAOAMAOBNFKB1
SCHEMBL5188736 0.81 KMT2A (0.49) KMT2APAX8MAOAMAOBNFKB1
SCHEMBL31035850 0.81 TDP1 (0.59) HPRT1PAX8MAOAMAOBTDP1
SCHEMBL5672210 0.81 TDP1 (0.59) HPRT1PAX8MAOAMAOBTDP1
SCHEMBL13085233 0.79 HPRT1 (0.70) HPRT1KMT2APAX8TDP1LMNA
SCHEMBL3362663 0.78 TDP1 (0.61) HPRT1PAX8MAOAMAOBTDP1
SCHEMBL30450770 0.78 TDP1 (0.61) HPRT1PAX8MAOAMAOBTDP1
SCHEMBL30588914 0.78 TDP1 (0.61) HPRT1PAX8MAOAMAOBTDP1

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-1000025-B1 SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2007-02-21 EP claimed
EP-0835870-B1 Photochromic substituted naphthopyrans PPG IND OHIO INC (US) 2004-03-03 EP claimed
EP-0801750-B1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG IND OHIO INC (US) 2001-11-07 EP disclosed
EP-0801750-A4 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES INC (US) 1997-12-10 EP disclosed
EP-0801750-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1997-10-22 EP disclosed
WO-1996004576-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1996-02-15 WO disclosed