SCHEMBL9759932

SCHEMBL9759932

CNC[C@@H](C)N1c2ccccc2Sc2ccc(C(N)=S)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
NOX1 Q9Y5S8 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 4/20 0.39
DRD3 P35462 4/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
ADRA1A P35348 3/20 0.39
OPRM1 P35372 3/20 0.39
KCNH2 Q12809 3/20 0.39
DRD2 P14416 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 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
SCHEMBL9759928 1.00 LMNA (0.40) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9331947 0.88 LMNA (0.41) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9331955 0.88 LMNA (0.41) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9759405 0.85 CHRM2 (0.48) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9759408 0.85 CHRM2 (0.48) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9331579 0.83 USP2 (0.40) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9758879 0.83 HTR1A (0.39) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9331883 0.83 USP2 (0.40) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9758828 0.83 CHRM2 (0.41) LMNANOX1MAPTMAPK1TDP1
SCHEMBL9758824 0.83 CHRM2 (0.41) LMNANOX1MAPTMAPK1TDP1

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed