SCHEMBL14286352

SCHEMBL14286352

Brc1ccc(CSC2=NCN(Cc3cccnc3)CN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL19019922 0.91 MAPK1 (0.50) OPRK1SMN1; SMN2CHRNB2CHRNA4MAPK1
SCHEMBL19019917 0.89 TDP1 (0.46) OPRK1CHRNB2CHRNA4MAPK1PKM
SCHEMBL19019834 0.89 PLA2G7 (0.47) SMN1; SMN2CHRNB2CHRNA4MAPK1PKM
SCHEMBL19019870 0.89 CHRNB2 (0.43) SMN1; SMN2CHRNB2CHRNA4MAPK1LMNA
SCHEMBL19061883 0.89 MEN1 (0.48) OPRK1SMN1; SMN2CHRNB2CHRNA4MAPK1
SCHEMBL19019921 0.86 PKM (0.48) SMN1; SMN2CHRNB2CHRNA4LMNAPKM
SCHEMBL19019919 0.86 HIF1A (0.47) CHRNB2CHRNA4MAPK1PKMHSD17B10
SCHEMBL19061740 0.86 NPC1 (0.46) CHRNB2CHRNA4MAPK1LMNAPKM
SCHEMBL19019907 0.85 LMNA (0.41) SMN1; SMN2CHRNB2CHRNA4MAPK1LMNA
SCHEMBL19062037 0.84 METAP2 (0.43) CHRNB2CHRNA4MAPK1PKMHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184549-A1 ACYLATION OF BIOPOLYMER COMPRISING ANHYDROGLUCOSE UNITS SAPPI Netherlands Services B.V. (NL) 2017-06-28 — — EP disclosed
EP-3184514-A1 AUTOPHAGY INHIBITORS Deutsches Krebsforschungszentrum (DE) 2017-06-28 — — EP disclosed
WO-2008025152-A1 ANTIBACTERIAL AGENTS MCMASTER UNIVERSITY (CA) 2008-03-06 — — WO disclosed
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