SCHEMBL10920060

SCHEMBL10920060

CCN(CC)CCn1nc2c3c(c([N+](=O)[O-])ccc31)Oc1cc(O)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.45
TOP2B Q02880 2/20 0.45
NQO1 P15559 1/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
DNMT1 P26358 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
UHRF1 Q96T88 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 3/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRM1 P35372 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL10501981 0.93 TOP2A (0.47) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10502602 0.88 NQO1 (0.50) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10501647 0.87 POLB (0.44) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10502223 0.84 TOP2A (0.46) TOP2ATOP2BPOLBKMT2ANPC1
SCHEMBL10502272 0.82 NQO1 (0.52) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10501071 0.80 TOP2A (0.45) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10502230 0.80 NQO1 (0.51) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10501030 0.79 TOP2A (0.47) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10925940 0.79 TOP2A (0.65) TOP2ATOP2BNQO1POLBKMT2A
SCHEMBL10503399 0.79 TOP2A (0.44) TOP2ATOP2BNQO1POLBKMT2A

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 2 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 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