SCHEMBL11039347

SCHEMBL11039347

CCc1noc(C)c1-c1[nH]c2ccccc2c1C(C)(C)CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.34
▸ BRD2 P25440 2/20 0.34
▸ BRD3 Q15059 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ DCTPP1 Q9H773 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL10926377 0.88 CYP1A2 (0.38) BRD4BRD2BRD3CYP1A2CYP2C9
SCHEMBL10958183 0.83 PTGS2 (0.48) BRD4BRD2CYP1A2CYP2C9HTT
SCHEMBL11427161 0.79 KCNH2 (0.38) BRD4BRD2BRD3CYP1A2CYP2C9
SCHEMBL11036464 0.74 KCNH2 (0.44) BRD4KCNH2HDAC1KDM4EALDH1A1
SCHEMBL10953599 0.74 PTGS2 (0.43) BRD4CYP1A2CYP2C9HTTKDM4E
SCHEMBL10831572 0.74 KDM4E (0.42) KCNH2HDAC1HTTKDM4EALDH1A1
SCHEMBL10925293 0.74 CYP3A4 (0.52) BRD4BRD2BRD3CYP1A2CYP2C9
SCHEMBL11038024 0.73 KDM4E (0.54) BRD4KCNH2HDAC1KDM4EALDH1A1
SCHEMBL10924677 0.73 BRD4 (0.43) BRD4BRD2BRD3CYP1A2CYP2C9
SCHEMBL10957836 0.73 CSF1R (0.42) BRD4ALDH1A1MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4415568-A ANTIDIABETIC AND HYPOGLYCEMIC AGENTS SANDOZ, INC. (US) 1983-11-15 — — US claimed
US-4336378-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 — — US claimed
EP-0038298-B1 ISOXAZOLYL INDOLAMINES SANDOZ AG (CH) 1984-07-25 — — EP disclosed
US-4453001-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1984-06-05 — — US disclosed
US-4415568-A ANTIDIABETIC AND HYPOGLYCEMIC AGENTS SANDOZ, INC. (US) 1983-11-15 — — US disclosed
US-4336378-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 — — US disclosed
EP-0038298-A1 Isoxazolyl indolamines SANDOZ AG (CH) 1981-10-21 — — EP disclosed
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