SCHEMBL19019848

SCHEMBL19019848

CC(c1cccnc1)N1CN=C(SCc2ccc(Cl)cc2)NC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ PLA2G7 Q13093 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP3A5 P20815 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38

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
SCHEMBL19019834 0.76 PLA2G7 (0.47) PLA2G7MEN1MAPTKMT2ACYP3A4
SCHEMBL14286349 0.74 MAPK1 (0.44) MEN1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL5132698 0.71 HPGD (0.46) MEN1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL19061883 0.68 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1PKM
SCHEMBL19019922 0.66 MAPK1 (0.50) PLA2G7MEN1KMT2ASMN1; SMN2PKM
SCHEMBL19019884 0.66 MAPT (0.43) MAPTCYP1A2CYP2D6TP53MAPK1
SCHEMBL19061887 0.66 L3MBTL1 (0.51) MEN1MAPTKMT2APKMRAB9A
SCHEMBL19019870 0.65 CHRNB2 (0.43) MEN1KMT2ACYP3A4SMN1; SMN2NPC1
SCHEMBL14286352 0.65 OPRK1 (0.48) MEN1MAPTKMT2ACYP3A4CYP1A2
SCHEMBL19061952 0.65 CYP1A2 (0.51) MEN1MAPTKMT2ACYP1A2CYP2D6

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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