SCHEMBL14645905

SCHEMBL14645905

c1ccc(-c2cccc3[nH]c(-c4ccccn4)nc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 9/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ HPGD P15428 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ TP53 P04637 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ METAP2 P50579 5/20 0.59
▸ METAP1 P53582 5/20 0.59
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ MTOR P42345 1/20 0.56

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
SCHEMBL13504643 0.88 CBFB (0.57) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL1170898 0.84 DHODH (0.54) SMN1; SMN2ALDH1A1TP53CYP2D6HSD17B10
SCHEMBL31027957 0.82 DHODH (0.59) ALDH1A1CYP2D6NPC1RAB9APARP1
SCHEMBL7146754 0.81 DHODH (0.62) ALDH1A1CYP2D6NPC1RAB9APARP1
SCHEMBL6677672 0.80 CBFB (0.44) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL230979 0.80 DHODH (0.53) CYP2D6NPC1RAB9APARP1DHODH
SCHEMBL4457030 0.80 DHODH (0.53) SMN1; SMN2HPGDALDH1A1TP53HSD17B10
SCHEMBL124191 0.79 CBFB (1.00) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL1830191 0.78 DHODH (0.51) PARP1DHODH
SCHEMBL7473559 0.77 DHODH (0.64) CBFBSMN1; SMN2HPGDALDH1A1TP53

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-9266906-B2 Copper(I) complexes for optoelectronic devices CYNORA GMBH (DE) 2016-02-23 — — US disclosed
EP-2729477-B1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2016-01-20 — — EP disclosed
US-20140235006-A1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-21 — — US disclosed
EP-2729477-A1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES cynora GmbH (DE) 2014-05-14 — — EP disclosed
WO-2013007707-A1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-01-17 — — WO disclosed
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