SCHEMBL11468101

SCHEMBL11468101

S=C(SCc1ccccn1)SCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HRH1 P35367 1/20 0.48
KDM4E B2RXH2 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAPK1 P28482 1/20 0.44
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28112101 0.86 LMNA (0.59) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL11830097 0.80 LMNA (0.61) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL19468182 0.78 PKM (0.51) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL20595673 0.77 LMNA (0.96) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL5169143 0.77 ALDH1A1 (0.65) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL11741285 0.77
SCHEMBL6130015 0.76 CYP1A2 (0.63) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL11445226 0.76 SMN1; SMN2 (0.57) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
Bromide SCHEMBL23391499 0.76 LMNA (0.93) LMNAALDH1A1CYP1A2TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL1770126 0.76 LMNA (1.00) LMNAALDH1A1CYP1A2TSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 US disclosed