SCHEMBL9514542

SCHEMBL9514542

COC(=O)c1ccc2sc(/C=C/c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ POLB P06746 1/20 0.48
▸ NFE2L2 Q16236 2/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GRIN2D O15399 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ SCD O00767 1/20 0.43
▸ ALOX5 P09917 1/20 0.43

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
SCHEMBL9514551 1.00 MEN1 (0.56) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9514915 0.83 MAPT (0.42) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL9514917 0.83 MAPT (0.42) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL9337167 0.80 KAT8 (0.53) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL9337145 0.80 KAT8 (0.53) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL9337056 0.79 KAT8 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9337075 0.79 KAT8 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9389070 0.79 KAT8 (0.48) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL9334957 0.79 KAT8 (0.48) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL3559204 0.79 NFE2L2 (0.67) MEN1KMT2AMAPTCYP1A2CYP3A4

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-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
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 — — EP disclosed
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