SCHEMBL20125555

SCHEMBL20125555

Cc1cc(C2=CCCC=C2)nc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 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
SCHEMBL23682198 0.88 KMT2A (0.46) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL20940398 0.85 KMT2A (0.43) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL15073895 0.85 KDM4E (0.49) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL26033261 0.85 CYP19A1 (0.41) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL15871198 0.85 MEN1 (0.43) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL23181340 0.85 AGTR1 (0.41) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL17033540 0.82 MEN1 (0.61) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL23033831 0.81 MAPT (0.44) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL22736638 0.81 MEN1 (0.55) AGTR1KMT2AMEN1MAPTKDM4E
SCHEMBL21338518 0.81 LMNA (0.47) KMT2AMEN1MAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843167-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Kyushu University, National University Corporation (JP) 2021-06-30 EP disclosed
EP-2675867-B1 MATERIAL FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2018-05-09 EP disclosed