SCHEMBL19062009

SCHEMBL19062009

BCSC1=NCN(Cc2ccc(F)cc2)CN1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL19062011 0.86 ALDH1A1 (0.46) KDM4EMAPK1ALDH1A1MEN1KMT2A
SCHEMBL19061440 0.83 MAPK1 (0.46) KDM4EMAPK1ALDH1A1GAA
SCHEMBL19019884 0.83 MAPT (0.43) MAPK1MAPTGAA
SCHEMBL19019870 0.77 CHRNB2 (0.43) KDM4EMAPK1ALDH1A1POLBMEN1
SCHEMBL19019882 0.74 TRPV6 (0.43) KDM4EMAPK1ALDH1A1
SCHEMBL19061725 0.74 MAPK1 (0.35) KDM4EMAPK1MAPT
SCHEMBL19061947 0.74 P2RX7 (0.44) MAPK1ALDH1A1MEN1KMT2AGAA
SCHEMBL22275605 0.73 CYP1A2 (0.38) MAPK1MEN1KMT2AMAPT
SCHEMBL19019923 0.73 GAA (0.43) ALDH1A1MEN1KMT2AGAA
SCHEMBL22263119 0.73 ALDH1A1 (0.43) MAPK1ALDH1A1MEN1KMT2ACYP11B1

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
EP-3184514-A1 AUTOPHAGY INHIBITORS Deutsches Krebsforschungszentrum (DE) 2017-06-28 — — EP disclosed
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