SCHEMBL2729306

SCHEMBL2729306

c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4-c4cccc5ccccc45)c(-c4cccc5ccccc45)c3)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.60
▸ ALDH1A1 P00352 8/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ HSD17B10 Q99714 5/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ ATM Q13315 2/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ ATR Q13535 1/20 0.53
▸ SMN1; SMN2 Q16637 10/20 0.50
▸ NPC1 O15118 10/20 0.50
▸ TSHR P16473 8/20 0.50
▸ HPGD P15428 8/20 0.50
▸ TP53 P04637 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NFKB1 P19838 3/20 0.50
▸ NFKB2 Q00653 3/20 0.50
▸ RELA Q04206 3/20 0.50
▸ MECP2 P51608 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CASP1 P29466 1/20 0.50

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
SCHEMBL19932454 0.84 RAB9A (0.67) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL29355388 0.84 RAB9A (0.66) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL4333750 0.84 RAB9A (0.66) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL12765590 0.84 RAB9A (0.66) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL12722087 0.83 RAB9A (0.52) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL12721926 0.83 RAB9A (0.52) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL12914300 0.83 S1PR1 (0.57) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL12765576 0.83 RAB9A (0.73) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL12721961 0.82 ATR (0.53) RAB9AALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL12721695 0.82 ATR (0.53) RAB9AALDH1A1KDM4EHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987987-B2 Organic electroluminescent device KONINKLIJKE PHILIPS N.V. (NL) 2015-03-24 — — US disclosed
EP-2630679-B1 ORGANIC ELECTROLUMINESCENT DEVICE. KONINKL PHILIPS NV (NL) 2015-03-18 — — EP disclosed
US-20130293095-A1 ORGANIC ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2013-11-07 — — US disclosed
EP-2630679-A1 ORGANIC ELECTROLUMINESCENT DEVICE. Koninklijke Philips Electronics N.V. (NL) 2013-08-28 — — EP disclosed
WO-2012052866-A1 ORGANIC ELECTROLUMINESCENT DEVICE. KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-04-26 — — WO disclosed
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