SCHEMBL10502014

SCHEMBL10502014

O=[N+]([O-])c1ccc2c3c(nn2CCNCCO)-c2cc(O)ccc2Oc13

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.41
NQO1 P15559 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TOP2B Q02880 2/20 0.31
BACE1 P56817 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
SCHEMBL10502527 0.88 TOP2A (0.44) TOP2ANQO1ALDH1A1LMNAPOLB
SCHEMBL10502841 0.84 TOP2A (0.42) TOP2ATOP2B
SCHEMBL10502382 0.83 CNR1 (0.36) NQO1ALDH1A1LMNAPOLBMAPT
SCHEMBL10920849 0.82 TOP2A (0.53) TOP2AALDH1A1LMNAPOLBMAPT
SCHEMBL10502230 0.82 NQO1 (0.51) TOP2ANQO1ALDH1A1LMNAPOLB
SCHEMBL10501981 0.82 TOP2A (0.47) TOP2ANQO1POLBMAPTTOP2B
SCHEMBL10920060 0.74 TOP2A (0.45) TOP2ANQO1POLBMAPTTOP2B
SCHEMBL10921696 0.74 TOP2A (0.34) TOP2ANQO1TOP2BBACE1
SCHEMBL10815656 0.72 TOP2A (0.47) TOP2ANQO1ALDH1A1LMNAPOLB
SCHEMBL10502412 0.71 TOP2A (0.45) TOP2AALDH1A1POLBTOP2B

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
US-4604390-A FUNGICIDES, ANTITUMOR AGENTS WARNER-LAMBERT COMPANY (US) 1986-08-05 US claimed
EP-0172632-A1 Benzopyrano[4,3,2-cd]indazole compounds, processes for their production and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP claimed
EP-0172632-B1 Benzopyrano[4,3,2-cd]indazole compounds, processes for their production and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1989-08-30 EP disclosed
US-4604390-A FUNGICIDES, ANTITUMOR AGENTS WARNER-LAMBERT COMPANY (US) 1986-08-05 US disclosed
EP-0172632-A1 Benzopyrano[4,3,2-cd]indazole compounds, processes for their production and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP disclosed