SCHEMBL9514448

SCHEMBL9514448

O=C(O)C=CC(=O)Nc1cccc(C=Cc2nc3ccccc3s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
EPHX2 P34913 1/20 0.53
FSCN1 Q16658 1/20 0.52
LPAR1 Q92633 1/20 0.51
LPAR2 Q9HBW0 1/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LPAR3 Q9UBY5 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
RHOA P61586 2/20 0.46
CREBBP Q92793 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 5/20 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
SCHEMBL9514441 0.82 POLB (0.56) ALOX5EPHX2ALDH1A1MAPTTDP1
SCHEMBL9516870 0.81 TDP1 (0.49) ALOX5EPHX2FSCN1ALDH1A1MAPT
SCHEMBL9515511 0.79 MAPT (0.53) ALOX5EPHX2ALDH1A1MAPTTDP1
SCHEMBL9515519 0.79 MAPT (0.53) ALOX5EPHX2ALDH1A1MAPTTDP1
SCHEMBL9620370 0.78 RHOA (0.58) LPAR1LPAR2PKMRHOAKDM4E
SCHEMBL9518140 0.78 GRK2 (0.50) ALOX5EPHX2ALDH1A1MAPTTDP1
SCHEMBL9518151 0.78 GRK2 (0.50) ALOX5EPHX2ALDH1A1MAPTTDP1
SCHEMBL9518146 0.78 GRK2 (0.50) ALOX5EPHX2ALDH1A1MAPTTDP1
SCHEMBL9515896 0.77 SIRT1 (0.49) ALOX5EPHX2ALDH1A1MAPTTDP1
SCHEMBL10720978 0.77 ALOX5 (0.48) ALOX5EPHX2FSCN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62142168-A None JP disclosed
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
JP-S62142168-A THIAZOLE DERIVATIVE AND LEUKOTRIENE ANTAGONISTIC AGENT CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT MITSUBISHI CHEM IND LTD 1987-06-25 JP disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed