SCHEMBL19061952

SCHEMBL19061952

Clc1ccc(CSC2=NCN(Cc3cccnc3)CN2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ OPRK1 P41145 3/20 0.51
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ DRD2 P14416 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
SCHEMBL19061887 0.88 L3MBTL1 (0.51) KMT2AMEN1MAPK1HSD17B10CHRNB2
SCHEMBL19019834 0.88 PLA2G7 (0.47) CYP1A2CYP2D6KMT2AMEN1MAPK1
SCHEMBL19019922 0.85 MAPK1 (0.50) OPRK1KMT2AMEN1MAPK1HSD17B10
SCHEMBL19062037 0.85 METAP2 (0.43) KMT2AMEN1MAPK1HSD17B10CHRNB2
SCHEMBL19061885 0.84 MEN1 (0.52) CYP1A2OPRK1KMT2AMEN1MAPK1
SCHEMBL19061884 0.84 KMT2A (0.49) KMT2AMEN1MAPK1HSD17B10CHRNB2
SCHEMBL19019917 0.84 TDP1 (0.46) CYP1A2CYP2D6OPRK1KMT2AMEN1
SCHEMBL19061459 0.84 RAB9A (0.46) KMT2AMEN1MAPK1HSD17B10CHRNB2
SCHEMBL19019870 0.84 CHRNB2 (0.43) KMT2AMEN1MAPK1HSD17B10CHRNB2
SCHEMBL14286352 0.84 OPRK1 (0.48) CYP1A2CYP2D6OPRK1KMT2AMEN1

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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