SCHEMBL10799708

SCHEMBL10799708

CCN(CC)CCn1nc2c3c(c(Cl)ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.55
MITF O75030 2/20 0.55
RAB9A P51151 2/20 0.55
DNMT1 P26358 1/20 0.55
HTT P42858 1/20 0.55
RAD52 P43351 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
UHRF1 Q96T88 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TOP2A P11388 14/20 0.53
TOP2B Q02880 2/20 0.41
MAPK13 O15264 1/20 0.39
EIF2AK2 P19525 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL7814010 0.87 TOP2A (0.45) POLBNPC1MITFRAB9ADNMT1
SCHEMBL10801353 0.84 TOP2A (0.72) POLBNPC1MITFRAB9ADNMT1
SCHEMBL10801104 0.82 TOP2A (0.54) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL10805231 0.82 TOP2A (0.54) POLBKMT2ASMN1; SMN2TOP2AMAPK13
SCHEMBL10806468 0.81 TOP2A (0.49) POLBNPC1MITFRAB9ADNMT1
SCHEMBL10801535 0.81 TOP2A (0.42) POLBNPC1MITFRAB9ADNMT1
SCHEMBL10806341 0.81 POLB (0.48) POLBNPC1MITFRAB9ADNMT1
SCHEMBL10994405 0.80 POLB (0.48) POLBNPC1MITFRAB9ADNMT1
SCHEMBL10801161 0.79 KMT2A (0.47) POLBNPC1MITFRAB9ADNMT1
SCHEMBL10800105 0.78 NPC1 (0.38) POLBNPC1MITFRAB9ADNMT1

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 3 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 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