SCHEMBL8965614

SCHEMBL8965614

O=C(O)Cc1sc(Cl)nc1/C=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PAM P19021 1/20 0.39
GAA P10253 1/20 0.39
PTGDR Q13258 1/20 0.39
TP53 P04637 1/20 0.39
P2RX3 P56373 1/20 0.39
GRM4 Q14833 1/20 0.38

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
SCHEMBL9075427 0.85 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL9075422 0.85 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL8967115 0.83 PTGDR2 (0.47) PTGDR2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL8967121 0.83 PTGDR2 (0.47) PTGDR2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL8966397 0.75 PPARA (0.43) PTGDR2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL9074423 0.70 GAA (0.43) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL9074428 0.70 GAA (0.43) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL8965709 0.69 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL8966100 0.69 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL8965937 0.69 P2RX3 (0.37) KDM4EALDH1A1HPGDMEN1MAPT

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
EP-0509857-B1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
EP-0509857-A1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-21 EP disclosed