SCHEMBL10815656

SCHEMBL10815656

O=[N+]([O-])c1ccc2c3c(nn2CCNCCO)-c2ccccc2Sc13

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.47
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
NQO1 P15559 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TOP2B Q02880 2/20 0.33
ATM Q13315 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL8483564 0.88 TOP2A (0.41) TOP2ANQO1TOP2B
SCHEMBL8485627 0.88 TOP2A (0.41) TOP2AMAPTPOLBNQO1TOP2B
SCHEMBL8486344 0.87 TOP2A (0.40) TOP2AMAPTPOLBALDH1A1LMNA
SCHEMBL10815526 0.85 TOP2A (0.37) TOP2AMAPTNQO1ALDH1A1LMNA
SCHEMBL10811696 0.84 NQO1 (0.33) TOP2ANQO1TOP2B
SCHEMBL10812073 0.83 TOP2A (0.49) TOP2ATOP2B
SCHEMBL10810510 0.83 NQO1 (0.36) TOP2ANQO1TOP2B
SCHEMBL10809616 0.81 TOP2A (0.61) TOP2AMAPTPOLBALDH1A1LMNA
SCHEMBL10927511 0.81 NQO1 (0.46) TOP2AMAPTPOLBNQO1ALDH1A1
SCHEMBL10655030 0.80 NQO1 (0.49) TOP2AMAPTPOLBNQO1ALDH1A1

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-0114002-B1 BENZOTHIOPYRANO(4,3,2,-CD)INDAZOLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1987-03-04 EP claimed
EP-0114002-A2 Benzothiopyrano(4,3,2,-cd)indazoles, their pharmaceutical compositions and methods for their production WARNER-LAMBERT COMPANY (US) 1984-07-25 EP claimed
EP-0114002-B1 BENZOTHIOPYRANO(4,3,2,-CD)INDAZOLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1987-03-04 EP disclosed
US-4604390-A FUNGICIDES, ANTITUMOR AGENTS WARNER-LAMBERT COMPANY (US) 1986-08-05 US disclosed
EP-0114002-A2 Benzothiopyrano(4,3,2,-cd)indazoles, their pharmaceutical compositions and methods for their production WARNER-LAMBERT COMPANY (US) 1984-07-25 EP disclosed