SCHEMBL29961879

SCHEMBL29961879

CC(C)(C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(Cl)c3oc4ccccc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.39
▸ TTR P02766 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TNKS O95271 2/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ GABRA4 P48169 2/20 0.32

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
SCHEMBL26404921 0.92 AHR (0.46) AHRTTRMAPTTNKSSMN1; SMN2
SCHEMBL29961331 0.89 AHR (0.43) AHRTTRMAPTTNKSSMN1; SMN2
SCHEMBL24561687 0.86 AHR (0.49) AHRTTRMAPTTNKSSMN1; SMN2
SCHEMBL29961399 0.85 AHR (0.43) AHRTTRTNKSSMN1; SMN2
SCHEMBL26404785 0.83 AHR (0.33) AHRTTRALDH1A1MAPT
SCHEMBL29960680 0.79 AHR (0.39) AHRTTRTNKSSMN1; SMN2TP53
SCHEMBL18854405 0.78 ALOX5 (0.48) ALDH1A1MAPTTNKSSMN1; SMN2TP53
SCHEMBL23658747 0.78 AHR (0.39) AHRTTRALDH1A1MAPTTNKS
SCHEMBL17465475 0.78 DHODH (0.44) AKR1C2AKR1C1SMN1; SMN2TP53CYP19A1
SCHEMBL25098395 0.77 MEN1 (0.41) AHRALDH1A1MAPTTNKSSMN1; SMN2

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
CN-117098766-A Organic molecules for optoelectronic devices 三星显示有限公司 2023-11-21 — — CN disclosed
WO-2022223846-A1 ORAGNIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2022-10-27 — — WO disclosed
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