SCHEMBL18960646

SCHEMBL18960646

Nc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAOA P21397 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
CYP3A4 P08684 1/20 0.45
IL1R1 P14778 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
HBB P68871 1/20 0.41
NPC1 O15118 2/20 0.41
FGFR1 P11362 1/20 0.41
JAK2 O60674 2/20 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
SCHEMBL21446494 0.95 HSD17B10 (0.52) KDM4EL3MBTL1MAOAATMALDH1A1
SCHEMBL18516339 0.94 KDM4E (0.56) KDM4EL3MBTL1MAOAATMALDH1A1
SCHEMBL25631977 0.93 HSD17B10 (0.48) KDM4EL3MBTL1MAOAATMALDH1A1
SCHEMBL22919948 0.92 KDM4E (0.46) KDM4EL3MBTL1MAOAATMALDH1A1
SCHEMBL22137153 0.92 KDM4E (0.46) KDM4EL3MBTL1MAOAATMALDH1A1
Tannin Pyrogallol SCHEMBL20679969 0.92 KDM4E (0.58) KDM4EL3MBTL1MAOAATMALDH1A1
SCHEMBL19486137 0.92 KDM4E (0.58) KDM4EL3MBTL1MAOAATMALDH1A1
SCHEMBL11981029 0.89 ATM (0.56) KDM4EL3MBTL1ATMALDH1A1IL1R1
SCHEMBL349768 0.89 KDM4E (0.56) KDM4EL3MBTL1ATMALDH1A1HSD17B10
SCHEMBL18804997 0.89 ATM (0.56) KDM4EL3MBTL1ATMALDH1A1IL1R1

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
EP-3670520-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2022-01-12 EP disclosed
EP-3670520-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-06-24 EP disclosed
WO-2017099326-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY APPARATUS 삼성에스디아이 주식회사 2017-06-15 WO disclosed