SCHEMBL9366176

SCHEMBL9366176

CC(Cc1ccccc1)OC(=O)c1cccc2nnsc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ATM Q13315 1/20 0.36
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
USP2 O75604 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
SCHEMBL9088391 0.87 ADRA1A (0.41) ALDH1A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL9089945 0.83 NPC1 (0.44) ALDH1A1KMT2ANPC1RAB9AHPGD
SCHEMBL9085909 0.82 ALDH1A1 (0.43) ALDH1A1KMT2ANPC1RAB9AHPGD
SCHEMBL3746766 0.80 ALDH1A1 (0.54) ALDH1A1KMT2ATSHRNPC1RAB9A
SCHEMBL9365793 0.79 MAPT (0.37) ALDH1A1KMT2ATSHRATMHPGD
SCHEMBL20357950 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ATSHRSCN1ASCN2A
SCHEMBL9369537 0.77 TSHR (0.43) ALDH1A1KMT2ATSHRATMNPC1
SCHEMBL9366399 0.76 PRMT3 (0.39) ALDH1A1TSHR
SCHEMBL20357953 0.74 ALDH1A1 (0.62) ALDH1A1KMT2ATSHRSCN1ASCN2A
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL8588144 0.74 MAPT (0.45) ALDH1A1KMT2ATSHRATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384890-B1 Agent to protect plants against diseases CIBA GEIGY AG (CH) 1994-03-09 EP claimed
EP-0384890-A2 Agent to protect plants against diseases CIBA-GEIGY AG (CH) 1990-08-29 EP claimed
EP-0384890-B1 Agent to protect plants against diseases CIBA GEIGY AG (CH) 1994-03-09 EP disclosed
EP-0384890-A2 Agent to protect plants against diseases CIBA-GEIGY AG (CH) 1990-08-29 EP disclosed