SCHEMBL11337607

SCHEMBL11337607

Cc1ccc(C(NC(N)=S)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.70
ALDH1A1 P00352 3/20 0.50
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
SLC6A9 P48067 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B2 P37059 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 1/20 0.41
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
ALPL P05186 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 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
SCHEMBL4355726 0.89 LMNA (0.52) LMNAALDH1A1MEN1KMT2ACNR1
SCHEMBL8940197 0.84 LMNA (0.49) LMNAALDH1A1MEN1KMT2ACNR1
SCHEMBL22408310 0.82 LMNA (1.00) LMNAALDH1A1SLC6A9MEN1KMT2A
SCHEMBL11347034 0.82 CNR1 (0.61) LMNASLC6A9MEN1KMT2AHSD17B2
Hydrochloric Acid SCHEMBL28055613 0.81 LMNA (0.97) LMNAALDH1A1SLC6A9MEN1KMT2A
SCHEMBL14409534 0.76 LMNA (0.72) LMNAALDH1A1SLC6A9MEN1KMT2A
SCHEMBL9980569 0.75 LMNA (0.59) LMNAALDH1A1SLC6A9MEN1KMT2A
SCHEMBL10138758 0.75 LMNA (0.69) LMNAALDH1A1SLC6A9MEN1KMT2A
SCHEMBL2010681 0.75 LMNA (0.69) LMNAALDH1A1SLC6A9MEN1KMT2A
SCHEMBL12604986 0.75 LMNA (0.69) LMNAALDH1A1SLC6A9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000952-B1 BENZHYDRYL GUANIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS McNeilab, Inc. (US) 1981-02-11 EP disclosed
US-4161541-A HYPOGLYCEMIC AGENTS MCNEIL LABORATORIES, INC. (US) 1979-07-17 US disclosed
EP-0000952-A1 Benzhydryl guanidine derivatives and pharmaceutical compositions McNeilab, Inc. (US) 1979-03-07 EP disclosed
US-4101659-A LOWERING BLOOD SUGAR MCNEIL LABORATORIES, INCORPORATED (US) 1978-07-18 US disclosed