SCHEMBL17989751

SCHEMBL17989751

CC1(C)c2ccccc2-c2c1c1ccccc1c1c2c2ccccc2n1-c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ NUDT1 P36639 3/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ PRKCB P05771 3/20 0.32
▸ PRKCA P17252 3/20 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
SCHEMBL17406319 0.93 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15127046 0.92 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17406290 0.92 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17427660 0.92 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15126515 0.90 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17406506 0.89 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17406534 0.89 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17406260 0.89 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17406586 0.89 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15126750 0.88 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1

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
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
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