SCHEMBL19061437

SCHEMBL19061437

CCCc1cccc(CN2CN=C(SCc3ccccc3)NC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C19 P33261 2/20 0.37
▸ GAA P10253 3/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19061947 0.84 P2RX7 (0.44) ALDH1A1KMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL19061872 0.81 MAPK1 (0.41) ALDH1A1SMN1; SMN2MAPK1GAATDP1
SCHEMBL19061440 0.79 MAPK1 (0.46) ALDH1A1SMN1; SMN2MAPK1GAATDP1
SCHEMBL19019922 0.79 MAPK1 (0.50) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL22263152 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL22263137 0.78 MAPK1 (0.50) ALDH1A1KMT2AMAPK1MEN1THRB
SCHEMBL20917965 0.78 MAPK1 (0.41) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL22263119 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL20917786 0.76 ALOX15B (0.46) ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL19019923 0.76 GAA (0.43) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1

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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