SCHEMBL11325403

SCHEMBL11325403

COC(=O)c1ncn(C(c2ccccc2)c2ccccc2)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL10391240 0.84 MAPK1 (0.44) MAPK1CRHBPCRHR2SMN1; SMN2OPRD1
SCHEMBL6092801 0.80 MAPK1 (0.42) MAPK1CRHBPCRHR2SMN1; SMN2KDM4E
SCHEMBL21879900 0.79 NPSR1 (0.41) MAPK1KDM4EMAPTALDH1A1PTGES
SCHEMBL3494712 0.75 MAPK1 (0.55) MAPK1SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL3496351 0.75 MAPK1 (0.55) MAPK1SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL10390462 0.72 MAPK1 (0.75) MAPK1CRHBPCRHR2SMN1; SMN2OPRD1
SCHEMBL24283635 0.72 MAPK1 (0.55) MAPK1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL21298737 0.72 MAPK1 (0.55) MAPK1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL21298717 0.72 MAPK1 (0.55) MAPK1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL11326029 0.72 OPRD1 (0.42) MAPK1CRHBPCRHR2SMN1; SMN2OPRD1

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-0000373-B1 IMIDAZOLE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULANTS OR PLANT PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-07 EP disclosed
US-4182624-A FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-08 US disclosed
EP-0000373-A1 Imidazole carboxylic acids and derivatives thereof, process for their preparation and their use as plant growth regulants or plant protection agents HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-24 EP disclosed