SCHEMBL10801535

SCHEMBL10801535

CCN(CC)CCn1nc2c3c(c(Cl)ccc31)C(=O)c1c(O)ccc(O)c1-2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 15/20 0.42
TOP2B Q02880 2/20 0.41
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
DNMT1 P26358 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UHRF1 Q96T88 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
G6PD P11413 1/20 0.36

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
SCHEMBL10801094 0.89 TOP2A (0.46) TOP2A
SCHEMBL10802391 0.85 TOP2A (0.60) TOP2A
SCHEMBL10805350 0.85 TOP2A (0.42) TOP2A
SCHEMBL10800308 0.84 TOP2A (0.44) TOP2APOLBNPC1HTTRAB9A
SCHEMBL9127738 0.83 TOP2A (0.50) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL10800421 0.83 ATM (0.36) TOP2ARAD52
SCHEMBL10802508 0.83 TOP2A (0.41) TOP2A
SCHEMBL10800769 0.82 TOP2A (0.38) TOP2ASMN1; SMN2
SCHEMBL10799708 0.81 POLB (0.55) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL10800408 0.81 TOP2A (0.46) TOP2A

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-0103381-B1 SUBSTITUTED ANTHRA(1,9-CD)PYRAZOL-6(2H)-ONES WARNER-LAMBERT COMPANY (US) 1987-09-23 EP claimed
EP-0103381-A1 Substituted anthra(1,9-cd)pyrazol-6(2H)-ones WARNER-LAMBERT COMPANY (US) 1984-03-21 EP claimed
EP-0103381-B1 SUBSTITUTED ANTHRA(1,9-CD)PYRAZOL-6(2H)-ONES WARNER-LAMBERT COMPANY (US) 1987-09-23 EP disclosed
US-4556654-A ANTICARCINOGENIC, FUNGICIDES, ANTISEPTICS WARNER-LAMBERT COMPANY (US) 1985-12-03 US disclosed
EP-0103381-A1 Substituted anthra(1,9-cd)pyrazol-6(2H)-ones WARNER-LAMBERT COMPANY (US) 1984-03-21 EP disclosed