SCHEMBL9211374

SCHEMBL9211374

NCCSSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.43
IDO1 P14902 5/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ACHE P22303 1/20 0.39

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
Hydrochloric Acid SCHEMBL9212656 0.98 MAPT (0.47) MAPTMEN1KMT2ALOXL2ALDH1A1
Hydrochloric Acid SCHEMBL10560690 0.88 MAPT (0.45) MAPTMEN1KMT2ALOXL2ALDH1A1
SCHEMBL4907801 0.82 MAPT (0.46) MAPTMEN1KMT2ALOXL2ALDH1A1
SCHEMBL5280249 0.81 MAPT (0.57) MAPTMEN1KMT2ALOXL2ALDH1A1
Hydrochloric Acid SCHEMBL5654081 0.80 MAPT (0.55) MAPTMEN1KMT2ALOXL2ALDH1A1
SCHEMBL6103872 0.79 MAPT (0.52) MAPTMEN1KMT2AALDH1A1CA1
SCHEMBL14113990 0.79 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL223594 0.78 MEN1 (0.59) MAPTMEN1KMT2ALOXL2ALDH1A1
SCHEMBL4900236 0.78 MAPT (0.47) MAPTMEN1KMT2ALOXL2ALDH1A1
SCHEMBL18690302 0.78 MAPT (0.47) MAPTMEN1KMT2ALOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445813-B1 7-(Diphenylmethyl)oxy-9a-methoxymitosane and the preparation and use thereof BRISTOL MYERS SQUIBB CO (US) 1995-08-02 EP disclosed
US-5352798-A Intermediates for mitomycins; antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-04 US disclosed
US-5175303-A Antitumor agents formed by reaction of diazodiphenylmethane and mitomycin C BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US disclosed
US-5075454-A Chemical intermediate, antitumor agent BRISTOL-MYERS SQUIBB COMPANY (US) 1991-12-24 US disclosed
EP-0445813-A1 7-(Diphenylmethyl)oxy-9a-methoxymitosane and the preparation and use thereof Bristol-Myers Squibb Company (US) 1991-09-11 EP disclosed