SCHEMBL20146430

SCHEMBL20146430

CCCCCCCc1ccc(Nc2ccc(-c3ccccc3C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.50
HSD11B1 P28845 3/20 0.47
UNG P13051 3/20 0.44
SPHK1 Q9NYA1 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
GPR3 P46089 1/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4609289 0.91 RARB (0.57) RARBHSD11B1HSD17B10TSHRGPR3
Bromide SCHEMBL28392437 0.88 HSD11B1 (0.54) RARBHSD11B1HSD17B10TSHRGPR3
SCHEMBL9927517 0.84 HTR2A (0.46) RARBHSD11B1UNGSPHK1HSD17B10
SCHEMBL11962222 0.83 HSD17B10 (0.59) RARBUNGHSD17B10TSHRESR1
SCHEMBL13251178 0.83 RARB (0.45) RARBHSD11B1UNGSPHK1HSD17B10
SCHEMBL449939 0.81 HTR2A (0.54) UNGSPHK1HSD17B10ESR1ADRA2A
SCHEMBL21634393 0.81 HTR2A (0.54) UNGSPHK1HSD17B10ESR1ADRA2A
SCHEMBL27480376 0.81 HTR2A (0.54) UNGSPHK1HSD17B10ESR1ADRA2A
SCHEMBL11204938 0.81 HTR2A (0.54) UNGSPHK1HSD17B10ESR1ADRA2A
SCHEMBL2493792 0.81 HTR2A (0.54) UNGSPHK1HSD17B10ESR1ADRA2A

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-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