SCHEMBL3125875

SCHEMBL3125875

CC(=O)c1c(C)cc(C#N)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
ALB P02768 2/20 0.40
GPR35 Q9HC97 5/20 0.37
CYP3A4 P08684 2/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
EPAS1 Q99814 1/20 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
SCHEMBL3758179 0.83 CYP3A4 (0.45) TTRALBGPR35CYP3A4ALDH1A1
SCHEMBL21937817 0.81 POLB (0.44) TTRALBGPR35CYP1A2MAPT
SCHEMBL21990971 0.79 KDM4E (0.42) TTRALBGPR35ALDH1A1MAPT
SCHEMBL16790431 0.78 CYP3A4 (0.50) GPR35CYP3A4ALDH1A1MAPTMEN1
SCHEMBL12845232 0.77 TTR (0.39) TTRALBGPR35CYP3A4ALDH1A1
SCHEMBL8010085 0.76 GSK3B (0.50) TTRALBGPR35CYP3A4ESR1
SCHEMBL22890471 0.75 FFAR1 (0.39) TTRALBGPR35CYP3A4ALDH1A1
SCHEMBL21826384 0.75 ALDH1A1 (0.44) TTRALBGPR35CYP3A4ALDH1A1
SCHEMBL29095923 0.75 CYP3A4 (0.39) TTRALBGPR35CYP3A4ALDH1A1
SCHEMBL29251194 0.75 KDM4E (0.36) TTRALBCYP1A2CYP2C9CYP2C19

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
WO-2010001220-A1 NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS SA (FR) 2010-01-07 WO disclosed
EP-2141164-A1 New 1,2,4-triazine derivatives and biological applications thereof Mutabilis (FR) 2010-01-06 EP disclosed
US-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 US disclosed
US-5891894-A 2-AMINO OXAZOLE DERIVATIVES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5891893-A 5-AMINO-1,2,4-OXA(OR THIA)DIAZOLES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, CARDIOVASCULAR DISEASES, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5780468-A ANTAGONIST OF PLATELET ACTIVATING FACTOR SANOFI (FR) 1998-07-14 US disclosed
US-5470855-A Anticoagulants SANOFI (FR) 1995-11-28 US disclosed