SCHEMBL16436688

SCHEMBL16436688

c1ccc2nc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7n6)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.41
RAB9A P51151 9/20 0.41
AR P10275 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL16436525 0.92 NPC1 (0.42) NPC1RAB9AARMEN1KMT2A
SCHEMBL16436602 0.90 NPC1 (0.40) NPC1RAB9AARMEN1KMT2A
SCHEMBL16436585 0.88 NPC1 (0.43) NPC1RAB9AARMEN1KMT2A
SCHEMBL16436698 0.86 ACACA (0.46) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16436719 0.86 NPC1 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL16436489 0.85 NPC1 (0.40) NPC1RAB9AARMEN1KMT2A
SCHEMBL16436465 0.85 NPC1 (0.36) NPC1RAB9AARMEN1KMT2A
SCHEMBL16436692 0.84 MEN1 (0.45) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16436708 0.84 MEN1 (0.43) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16436864 0.84 MEN1 (0.43) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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
EP-2842954-B1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME, AND DISPLAY DEVICE CONTAINING SAID ORGANIC LIGHT EMITTING DEVICE SAMSUNG SDI CO LTD (KR) 2020-02-05 EP disclosed
US-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed