SCHEMBL11148681

SCHEMBL11148681

O=C1C(=O)N(CCCCl)c2c(Cl)cc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ ALDH2 P05091 6/20 0.48
▸ ALDH3A1 P30838 6/20 0.48
▸ CASP3 P42574 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL11147987 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTHPGDALOX15
SCHEMBL16047437 0.83 ALDH1A1 (0.49) ALDH1A1ALDH2ALDH3A1CASP3CASP7
SCHEMBL11154283 0.81 CHRM5 (0.53) ALDH1A1ALDH2ALDH3A1L3MBTL1MAPT
SCHEMBL4624339 0.79 ALDH3A1 (0.54) ALDH1A1ALDH2ALDH3A1CHRM5CHRM3
SCHEMBL18954646 0.76 ALDH1A1 (0.45) ALDH1A1ALDH2ALDH3A1CASP3CASP7
SCHEMBL11150299 0.75 ALDH1A1 (0.63) ALDH1A1ALDH2ALDH3A1L3MBTL1MAPT
SCHEMBL4625371 0.75 ALDH1A1 (0.48) ALDH1A1ALDH2ALDH3A1CASP3L3MBTL1
SCHEMBL11147982 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTHPGDALOX15
SCHEMBL18954460 0.73 ALDH1A1 (0.47) ALDH1A1ALDH2ALDH3A1L3MBTL1MAPT
SCHEMBL11148915 0.71 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTHPGDALOX15

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
US-4382934-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 — — US disclosed
EP-0010398-B1 ISATIN DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-27 — — EP disclosed
EP-0010398-A1 Isatin derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-30 — — EP disclosed
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