SCHEMBL19622906

SCHEMBL19622906

CN1C(c2ccc(-c3ccccc3)cc2)=NNC1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 5/20 0.35
MAOA P21397 3/20 0.35
KDM1A O60341 3/20 0.33
MECP2 P51608 2/20 0.33
MBD2 Q9UBB5 2/20 0.33
PAX8 Q06710 1/20 0.33
CHRNA7 P36544 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL15672768 0.74 KMT2A (0.33) NPC1RAB9AMAOBMAOACHRNA7
SCHEMBL18231526 0.73 KIF11 (0.36) TDP1
SCHEMBL28058563 0.70 MAOA (0.32) BRD4NPC1RAB9AMAOBMAOA
SCHEMBL23339179 0.59 KDM1A (0.35) BRD4RAB9AMAOBKDM1AMECP2
SCHEMBL21277361 0.59 ALDH1A1 (0.47) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL15142022 0.59 KDM4E (0.46) BRD4ALOX12RAB9ATDP1CHRNA7
SCHEMBL17774227 0.59 ALDH1A1 (0.47) NPC1RAB9ATDP1MAOBKDM1A
SCHEMBL28104768 0.59 KMT2A (0.43) NPC1RAB9AMAOBMAOAALDH1A1
SCHEMBL827097 0.58 ALDH1A1 (0.90) NPC1RAB9ATDP1ALDH1A1CYP1A2
SCHEMBL18674172 0.58 ALDH1A1 (0.90) NPC1RAB9ATDP1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246963-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-11-22 EP disclosed