SCHEMBL22112418

SCHEMBL22112418

Clc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.50
DPP4 P27487 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
ADK P55263 1/20 0.48
PKM P14618 1/20 0.48
ADORA2A P29274 5/20 0.48
ADORA1 P30542 5/20 0.48
ADORA3 P0DMS8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
ADORA2B P29275 1/20 0.48
ATM Q13315 1/20 0.47
XDH P47989 1/20 0.47

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
SCHEMBL23009764 0.83 KDM4E (0.71) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL3291913 0.79 KMT2A (0.81) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL21399135 0.79 KMT2A (0.57) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL23009779 0.78 KDM4E (0.40) MEN1KMT2ALMNAKDM4EDPP4
SCHEMBL12306162 0.78 ADK (0.60) MEN1KMT2AHTTLMNADPP4
SCHEMBL376122 0.78 LMNA (0.73) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL24500402 0.77 KMT2A (0.55) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL31626408 0.77 KMT2A (0.55) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL21399367 0.77 LMNA (0.59) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL23177134 0.76 DPP4 (0.50) MEN1KMT2ADPP4SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021118159-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 엘티소재주식회사 2021-06-17 WO disclosed
WO-2021029463-A1 ORGANIC MATERIAL AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 단국대학교 천안캠퍼스 산학협력단 2021-02-18 WO disclosed
WO-2020122576-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, METHOD FOR MANUFACTURING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER 엘티소재주식회사 2020-06-18 WO disclosed