SCHEMBL11028082

SCHEMBL11028082

NCSc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.44
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
PRMT3 O60678 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DPP4 P27487 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
SCHEMBL5576227 0.82 CYP1A2 (0.50) PNMTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL30753726 0.80 LMNA (0.45) RAB9ALMNANPC1SMN1; SMN2POLB
SCHEMBL10986918 0.80 LMNA (0.45) PNMTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL29707978 0.76 RAB9A (0.42) RAB9ALMNANPC1SMN1; SMN2POLB
SCHEMBL27942919 0.76 RAB9A (0.46) RAB9ALMNANPC1SMN1; SMN2POLB
SCHEMBL3790646 0.76 RAB9A (0.42) RAB9ALMNANPC1SMN1; SMN2POLB
SCHEMBL1705482 0.76 RAB9A (0.46) PNMTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL10937002 0.76 RAB9A (0.42) PNMTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL18904808 0.75 MEN1 (0.60) RAB9ALMNANPC1SMN1; SMN2POLB
SCHEMBL772867 0.74 BACE1 (0.52) PNMTRAB9ALMNANPC1SMN1; SMN2

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-4465620-A SURFACTANT, AMINOALKYLSULFIDE PETROLITE CORPORATION (US) 1984-08-14 US disclosed