SCHEMBL19618281

SCHEMBL19618281

c1ccc2cc(-c3ccc4nc(-c5ccc6ccccc6c5)cc(-c5ccc(-c6ccc7ccccc7n6)cc5)c4c3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ AR P10275 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ ACACA Q13085 3/20 0.49
▸ MAPT P10636 4/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GMNN O75496 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL19618282 0.92 CYP1A1 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618347 0.91 NPC1 (0.53) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618329 0.91 NPC1 (0.53) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618579 0.91 ACACA (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618393 0.90 NPC1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618361 0.87 NPC1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618324 0.87 NPC1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618286 0.87 MEN1 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19618306 0.86 CYP1A1 (0.51) KDM4EALDH1A1MEN1KMT2AACACA
SCHEMBL19618371 0.86 NPC1 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 — — US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 — — US disclosed
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