SCHEMBL19061887

SCHEMBL19061887

Clc1cccc(CSC2=NCN(Cc3cccnc3)CN2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 4/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PTGER2 P43116 1/20 0.40

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 0.89 PLA2G7 (0.47) KMT2ARAB9AMAPTMAPK1HSD17B10
SCHEMBL19061952 0.88 CYP1A2 (0.51) KMT2AMAPTMAPK1HSD17B10PKM
SCHEMBL19061459 0.87 RAB9A (0.46) KMT2ARAB9AMAPTMAPK1HSD17B10
SCHEMBL19019917 0.87 TDP1 (0.46) L3MBTL1KMT2AMAPK1TSHRHSD17B10
SCHEMBL19061885 0.87 MEN1 (0.52) L3MBTL1KMT2AMAPK1HSD17B10PKM
SCHEMBL19061597 0.86 KDM4E (0.41) KMT2AMAPTMAPK1TSHRHSD17B10
SCHEMBL19019922 0.86 MAPK1 (0.50) KMT2ARAB9AMAPK1HSD17B10PKM
SCHEMBL19062037 0.86 METAP2 (0.43) L3MBTL1KMT2AMAPTMAPK1HSD17B10
SCHEMBL19061464 0.84 GSK3A (0.41) KMT2ARAB9AMAPTMAPK1HSD17B10
SCHEMBL19061599 0.84 KDM4E (0.53) RAB9AHSD17B10PKMGRIN1GRIN2B

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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