SCHEMBL5361379

SCHEMBL5361379

O=Cc1[nH]c(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK13 O15264 4/20 0.49
MAPK12 P53778 4/20 0.49
MAPK11 Q15759 4/20 0.49
MAPK14 Q16539 4/20 0.49
RAF1 P04049 3/20 0.49
MAPK9 P45984 2/20 0.49
GCGR P47871 1/20 0.47
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL1422649 0.81 BTK (0.44) POLBALDH1A1HPGDCYP1A2MAPK13
SCHEMBL811736 0.80 MAPT (0.49) POLBALDH1A1HPGDCYP1A2KMT2A
SCHEMBL11314796 0.80 BTK (0.43) POLBALDH1A1HPGDCYP1A2MAPK13
SCHEMBL27653936 0.80 KDM4E (0.40) POLBALDH1A1HPGDCYP1A2KMT2A
SCHEMBL27653924 0.80 KDM4E (0.58) POLBALDH1A1HPGDCYP1A2NPC1
SCHEMBL655574 0.80 HPGD (0.49) POLBALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL27653987 0.76 ESR1 (0.52) ALDH1A1HPGDCYP1A2CYP2C9MAPK13
SCHEMBL649518 0.76 HPGD (0.48) ALDH1A1HPGDCYP1A2CYP2C9MAPK13
SCHEMBL28883313 0.75 MAPK13 (0.65) ALDH1A1HPGDMAPK13MAPK12MAPK11
SCHEMBL9540423 0.75 MAPK13 (0.53) POLBALDH1A1HPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022117389-A1 METHOD FOR PRODUCING A TERMINAL-FUNCTIONAL POLYMER BASF SE (DE) 2022-06-09 WO claimed
WO-2022117389-A1 METHOD FOR PRODUCING A TERMINAL-FUNCTIONAL POLYMER BASF SE (DE) 2022-06-09 WO disclosed
EP-1403291-B1 PROCESS FOR PRODUCING POLYMER HAVING CROSSLINKABLE SILYL GROUP AND CURABLE COMPOSITION KANEKA CORP (JP) 2007-08-29 EP disclosed
US-7211625-B2 Thermoplastic resin composition and elastomer composition KANEKA CORPORATION (JP) 2007-05-01 US disclosed
US-7081503-B2 Process producing vinyl polymer having alkenyl group at end, vinyl polymer, and curable composition KANEKA CORPORATION (JP) 2006-07-25 US disclosed
US-7009004-B2 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2006-03-07 US disclosed
US-6992138-B2 Polyurethane polymer KANEKA CORPORATION (JP) 2006-01-31 US disclosed
US-20060004171-A1 Process for producing vinyl polymer having alkenyl group at end, vinyl polymer, and curable composition TSUJI RYOTARO 2006-01-05 US disclosed
US-6914110-B2 Process for producing polymer having crosslinkable silyl group and curable composition KANEKA CORPORATION (JP) 2005-07-05 US disclosed
US-20040220364-A1 Process for producing polymer having crosslinkable silyl group and curable composition KANEKA CORPORATION (JP) 2004-11-04 US disclosed
US-20040171765-A1 Polyurethane polymer KANEKA CORPORATION (JP) 2004-09-02 US disclosed
US-20040106732-A1 Thermoplastic resin composition and elastomer composition KANEKA CORPORATION (JP) 2004-06-03 US disclosed
US-20040097678-A1 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2004-05-20 US disclosed
EP-1403291-A1 PROCESS FOR PRODUCING POLYMER HAVING CROSSLINKABLE SILYL GROUP AND CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-03-31 EP disclosed
EP-1375531-A1 PROCESS FOR PRODUCING VINYL POLYMER HAVING ALKENYL GROUP AT END, VINYL POLYMER, AND CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-01-02 EP disclosed