SCHEMBL10451537

SCHEMBL10451537

COc1c(Cl)cc([NH])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ TPMT P51580 1/20 0.39
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ TAS1R2 Q8TE23 3/20 0.37
▸ HPGD P15428 2/20 0.36
▸ DBH P09172 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL12325399 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL54507 0.78 KMT2A (0.47) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL3753027 0.76 ACHE (0.52) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL8430640 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL8011796 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL17110036 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL2101809 0.74 CYP3A4 (0.50) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL3759267 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL442742 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL1387190 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGAATPMTTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 — — US claimed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 — — EP claimed
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 — — US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 — — US disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 — — US disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 — — EP disclosed
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