SCHEMBL23714201

SCHEMBL23714201

CC1(N)Cc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.37
KMT2A Q03164 3/20 0.36
BRD4 O60885 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
HK1 P19367 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
CREBBP Q92793 1/20 0.36
PLAU P00749 1/20 0.35

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
SCHEMBL31059284 1.00 HTR5A (0.37) HTR5AKMT2ABRD4NPC1KDM4E
SCHEMBL1119036 0.78 GAA (0.46) KMT2ABRD4NPC1KDM4EMEN1
SCHEMBL2255293 0.75 BRD4 (0.40) HTR5AKMT2ABRD4NPC1KDM4E
Hydrochloric Acid SCHEMBL28531911 0.73 KMT2A (0.41) HTR5AKMT2ABRD4NOS2
SCHEMBL7068997 0.72 KMT2A (0.60) KMT2ABRD4NPC1KDM4EMEN1
SCHEMBL23352920 0.72 BRD4 (0.35) HTR5AKMT2ABRD4NPC1KDM4E
SCHEMBL10282913 0.71 ALDH1A1 (0.41) MAPT
SCHEMBL10693042 0.71 PDK2 (0.46) HTR5AKMT2ABRD4NPC1KDM4E
SCHEMBL5664398 0.71 AHR (0.37) HTR5AKMT2ABRD4NPC1KDM4E
Hydrochloric Acid SCHEMBL28524749 0.69 HTR5A (0.33) HTR5AKMT2ANPC1KDM4EMEN1

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-3859809-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS Samsung Display Co., Ltd. (KR) 2021-08-04 EP disclosed