SCHEMBL17680306

SCHEMBL17680306

c1ccc(-c2cncc(-c3ccc4ccc5cccc6ccc3c4c56)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.43
▸ GRM5 P41594 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ TP53 P04637 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALPL P05186 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ AHR P35869 2/20 0.37

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
SCHEMBL17427674 0.89 KDM4E (0.42) CYP2A6KDM4ESMN1; SMN2TP53LMNA
SCHEMBL29512050 0.85 CYP1A2 (0.44) KDM4ETDP1L3MBTL1CYP1A2AHR
SCHEMBL16335156 0.85 CYP1A2 (0.44) KDM4ETDP1L3MBTL1CYP1A2AHR
SCHEMBL16483792 0.85 CYP2A6 (0.44) CYP2A6GRM5KDM4ESMN1; SMN2TP53
SCHEMBL16483035 0.85 CYP2A6 (0.44) CYP2A6GRM5KDM4ESMN1; SMN2TP53
SCHEMBL17427686 0.84 KDM4E (0.43) CYP2A6KDM4ESMN1; SMN2TP53LMNA
SCHEMBL16483369 0.84 CYP2A6 (0.55) CYP2A6GRM5SMN1; SMN2TP53MAPK1
SCHEMBL16483071 0.84 CYP2A6 (0.55) CYP2A6GRM5SMN1; SMN2TP53MAPK1
SCHEMBL17427680 0.83 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2TP53LMNAMAPK1
SCHEMBL16483030 0.83 CYP2A6 (0.56) CYP2A6GRM5SMN1; SMN2TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9773983-B2 Organic light emitting diode device LG DISPLAY CO., LTD. (KR) 2017-09-26 — — US disclosed
US-9773983-B2 Organic light emitting diode device LG DISPLAY CO., LTD. (KR) 2017-09-26 — — US disclosed
US-20160104844-A1 ORGANIC LIGHT EMITTING DIODE DEVICE LG DISPLAY CO., LTD. (KR) 2016-04-14 — — US disclosed
US-20160104844-A1 ORGANIC LIGHT EMITTING DIODE DEVICE LG DISPLAY CO., LTD. (KR) 2016-04-14 — — US disclosed
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