SCHEMBL19061884

SCHEMBL19061884

Clc1ccccc1CSC1=NCN(Cc2cccnc2)CN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL19061597 0.89 KDM4E (0.41) KMT2ALMNAMAPK1POLBALDH1A1
SCHEMBL19061593 0.87 ALDH1A1 (0.46) KMT2AMAPK1POLBNPC1RAB9A
SCHEMBL19061452 0.87 PKM (0.48) KMT2AMAPK1POLBSMN1; SMN2DRD2
SCHEMBL19019922 0.86 MAPK1 (0.50) KMT2AMAPK1POLBRAB9ASMN1; SMN2
SCHEMBL19061889 0.85 PKM (0.46) KMT2AMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL19062036 0.85 POLB (0.44) KMT2AMAPK1POLBSMN1; SMN2DRD2
SCHEMBL19019834 0.84 PLA2G7 (0.47) KMT2AMAPK1POLBNPC1RAB9A
SCHEMBL19061730 0.84 KDM4E (0.41) KMT2AMAPK1POLBALDH1A1CHRNB2
SCHEMBL19061952 0.84 CYP1A2 (0.51) KMT2AMAPK1SMN1; SMN2DRD2DRD4
SCHEMBL22263137 0.84 MAPK1 (0.50) KMT2ALMNAMAPK1NPC1ALDH1A1

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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