SCHEMBL9722758

SCHEMBL9722758

COC(=O)c1cc(C(=O)c2ccc(OC)cc2)sc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
GAA P10253 4/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CISD2 Q8N5K1 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45

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
SCHEMBL9722802 0.87 CISD2 (0.60) MAPTGAAHTTNPC1RAB9A
SCHEMBL9722837 0.86 MAPT (0.51) MAPTGAANPC1RAB9AHPGD
SCHEMBL9722754 0.86 ALDH1A1 (0.61) MAPTGAARAB9AHPGDALDH1A1
SCHEMBL9806950 0.78 CISD2 (0.57) MAPTGAANPC1RAB9AHPGD
SCHEMBL4224451 0.77 MAPT (0.74) MAPTGAANPC1RAB9AHPGD
SCHEMBL10891632 0.76 CISD2 (0.55) MAPTGAAHPGDALDH1A1KDM4E
SCHEMBL6790338 0.73 MAPT (0.69) MAPTGAANPC1RAB9AHPGD
SCHEMBL13303999 0.73 CISD2 (0.52) MAPTGAAHPGDALDH1A1KDM4E
SCHEMBL16690704 0.73 GAA (0.54) MAPTGAAHTTHPGDALDH1A1
SCHEMBL4776005 0.72 MAPT (1.00) MAPTGAAHTTNPC1RAB9A

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-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed