SCHEMBL7903987

SCHEMBL7903987

C=CCSc1nc(N)n(C(=S)NN)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL7896420 0.77 KDM1A (0.40) KDM1AADORA3ABCB1
SCHEMBL7896392 0.75 POLB (0.33) LMNARAB9A
SCHEMBL13085024 0.61 NPSR1 (0.46) TP53LMNATSHRMAPK1HSD17B10
SCHEMBL6551088 0.61 LMNA (0.46) KDM1ATP53LMNATSHRMAPK1
SCHEMBL7902694 0.60 MAPK1 (0.34) MAPK1HSD17B10
SCHEMBL11779560 0.59 RAB9A (0.47) KDM1ATP53LMNATSHRMAPK1
SCHEMBL7896518 0.58 POLB (0.42) LMNAMAPK1HSD17B10
SCHEMBL8118093 0.58 GAA (0.46) KDM1ATP53LMNATSHRMAPK1
SCHEMBL6680308 0.57 GAA (0.49) KDM1ATP53LMNATSHRMAPK1
SCHEMBL27871624 0.57 LMNA (0.43) KDM1ATP53LMNATSHRMAPK1

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
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed