SCHEMBL7167324

SCHEMBL7167324

CC(C)CCC(C)c1ccc(Nc2ncncn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CDK4 P11802 2/20 0.33

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
SCHEMBL28569241 0.81 ALDH1A1 (0.41) NFKB1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL29134221 0.80 NFKB1 (0.58) NFKB1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL10382992 0.75 RAB9A (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1TDP1
SCHEMBL28563944 0.73 TDP1 (0.52) NFKB1ALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL22135293 0.68 CYP3A4 (0.41) ALDH1A1CYP2C19MAPT
SCHEMBL29134257 0.66 ALDH1A1 (0.56) NFKB1ALDH1A1RAB9ANPC1CYP1A2
SCHEMBL10592821 0.66 RAD52 (0.54) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL6532650 0.66 AURKA (0.52) ALDH1A1KMT2ACDK2CDK4MEN1
SCHEMBL609197 0.66 BCL6 (0.57) NFKB1ALDH1A1RAB9ANPC1CYP1A2
SCHEMBL5186527 0.65 APP (0.38) SMN1; SMN2RAB9AKMT2AMAPTCYP11B1

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-6554037-B2 Of an ethylene oxide-propylene oxide fatty alcohol adduct and an alkali metal salt of an alkylsulphonic or alkylsulphuric acid; protection of sidewalls against visible effects of migration of antioxidants and antiozonants MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2003-04-29 — — US claimed
US-20010051677-A1 Of an ethylene oxide-propylene oxide fatty alcohol adduct and an alkali metal salt of an alkylsulphonic or alkylsulphuric acid; protection of sidewalls against visible effects of migration of antioxidants and antiozonants MICHELIN RECHERCHE ET TECHNIQUE S.A. 2001-12-13 — — US claimed
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