SCHEMBL3149852

SCHEMBL3149852

COC(=O)Oc1ccc2c(c1)nc(Cl)n2Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.48
PPARG P37231 1/20 0.43
ALOX5AP P20292 2/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
PTGS2 P35354 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL3140520 0.91 LMNA (0.42) TBXA2RLMNAKDM4ECYP1A2CYP3A4
SCHEMBL2100541 0.82 KDM4E (0.55) TBXA2RPPARGLMNAKDM4EAGTR1
SCHEMBL16456515 0.75 ALDH1A1 (0.57) TBXA2RALOX5APLMNAKDM4ECYP1A2
SCHEMBL2097508 0.75 TP53 (0.53) TBXA2RLMNAAGTR1AGTR2POLB
SCHEMBL1852575 0.74 MAPT (0.48) TBXA2RLMNAKDM4ECYP3A4CYP2C9
SCHEMBL3149955 0.74 DPP4 (0.47)
SCHEMBL2161533 0.70 KDM4E (0.68) PPARGLMNAKDM4EALDH1A1GAA
SCHEMBL7436459 0.70 TBXA2R (0.52) TBXA2RLMNAALDH1A1AGTR1AGTR2
SCHEMBL6528718 0.70 L3MBTL1 (0.46) LMNAKDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL3718063 0.70 RAB9A (0.67) TBXA2RALOX5APLMNATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863790-B1 AMIDE-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI AVENTIS (FR) 2010-02-10 EP disclosed
EP-1863790-A1 AMIDE-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS Sanofi-Aventis (FR) 2007-12-12 EP disclosed
WO-2006099943-A1 AMIDE-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS (DE) 2006-09-28 WO disclosed