SCHEMBL11154283

SCHEMBL11154283

O=C1C(=O)N(CCCCl)c2c(Cl)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 3/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ ALDH1A1 P00352 11/20 0.49
▸ ALDH3A1 P30838 3/20 0.49
▸ MAPT P10636 6/20 0.49
▸ HPGD P15428 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ USP2 O75604 1/20 0.44

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
SCHEMBL3023996 0.84 CES1 (0.61) CHRM5CHRM3L3MBTL1ALDH1A1ALDH3A1
SCHEMBL11149035 0.83 ALDH1A1 (0.69) L3MBTL1ALDH1A1MAPTHPGDTDP1
SCHEMBL11148681 0.81 ALDH1A1 (0.48) CHRM5CHRM3L3MBTL1ALDH1A1ALDH3A1
SCHEMBL28026197 0.79 CHRM5 (0.61) CHRM5CHRM3L3MBTL1ALDH1A1ALDH3A1
SCHEMBL18954556 0.76 ALDH1A1 (0.57) CHRM5CHRM3L3MBTL1ALDH1A1ALDH3A1
SCHEMBL30967409 0.76 CHRM5 (0.70) CHRM5CHRM3ALDH1A1ALDH3A1MAPT
SCHEMBL2149622 0.76 CES1 (0.73) CHRM5CHRM3ALDH1A1ALDH3A1BCHE
SCHEMBL12930236 0.75 TRPA1 (0.64) CHRM5CHRM3L3MBTL1ALDH1A1ALDH3A1
SCHEMBL28026196 0.75 CHRM5 (0.72) CHRM5CHRM3ALDH1A1ALDH3A1MAPT
SCHEMBL11148289 0.75 ALDH1A1 (0.43) L3MBTL1ALDH1A1ALDH3A1MAPTHPGD

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
Send feedback