SCHEMBL20786115

SCHEMBL20786115

O=C(O)c1cc(-c2c[nH]c3ccccc23)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 14/20 0.64
▸ PPP1CA P62136 2/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL1988198 0.87 RPA1 (0.58) RPA1PPP1CAKMT2AMEN1
SCHEMBL1514551 0.81 RPA1 (0.76) RPA1PPP1CAKMT2AMEN1
SCHEMBL20786116 0.81 PDPK1 (0.46) RPA1
SCHEMBL27811241 0.77 BRD4 (0.55) RPA1KMT2AMEN1
SCHEMBL27831427 0.75 MARS1 (0.53) KMT2AMEN1
SCHEMBL27811119 0.74 BRD4 (0.52) KMT2AMEN1
SCHEMBL5772366 0.71 KDM4E (0.46) KMT2AMEN1
SCHEMBL4488941 0.71 KMT2A (0.82) RPA1PPP1CAKMT2AMEN1
SCHEMBL1986774 0.70 RPA1 (0.77) RPA1PPP1CA
SCHEMBL28791272 0.70 SMPD1 (0.48) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040511-A1 DUAL INHIBITORS OF THE BCL-2 AND HDM2 FAMILIES THROUGH CO-MIMICRY OF THE BH3 AND P53-ALPHA-HELICES UNIVERSITY OF MARYLAND BATIMORE (US) 2019-02-28 — — WO disclosed
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