SCHEMBL20146545

SCHEMBL20146545

C1=CCCC(c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 5/20 0.40
ALOX12 P18054 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 3/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR2B P41595 1/20 0.40
EPHX2 P34913 1/20 0.37
CYP3A4 P08684 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL24054409 1.00 ALDH1A1 (0.40) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL20880955 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL18872972 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL20038670 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4MAPTHPGD
SCHEMBL12574318 0.85 RAB9A (0.35) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL787585 0.85 ALDH1A1 (0.36) ALDH1A1
SCHEMBL17752682 0.85 FABP3 (0.38) ALDH1A1TDP1MAPTHPGDHTT
SCHEMBL18594429 0.84 PTGER4 (0.33) EPHX2AKR1C3PTGER4
SCHEMBL26273790 0.84 ALDH1A1 (0.34) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL26273738 0.84 ALDH1A1 (0.34) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022035224-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2022-02-17 WO disclosed
EP-3709375-A1 COMPOUND HAVING INDENOCARBAZOLE RING STRUCTURE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2020-09-16 EP disclosed
EP-3321341-B1 ORGANIC ELECTRONIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO LTD (KR) 2020-04-29 EP disclosed
EP-3321341-A1 ORGANIC ELECTRONIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2018-05-16 EP disclosed