SCHEMBL7868173

SCHEMBL7868173

C[C@@H](O)[C@H](N)C(=O)Nc1nccs1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.56
▸ FFAR2 O15552 4/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HSPA9 P38646 3/20 0.55
▸ HSPA5 P11021 5/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HSPA2 P54652 2/20 0.53
▸ XBP1 P17861 1/20 0.52
▸ ADORA2A P29274 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL7876872 0.90 LMNA (0.59) LMNAFFAR2TSHRHSPA9HSPA5
SCHEMBL23804604 0.90 LMNA (0.59) LMNAFFAR2TSHRHSPA9HSPA5
Bromide SCHEMBL11310643 0.88 LMNA (0.57) LMNAFFAR2TSHRHSPA9HSPA5
Bromide SCHEMBL11317007 0.85 LMNA (0.57) LMNAFFAR2TSHRHSPA9HSPA5
SCHEMBL7415644 0.85 HSPA5 (0.60) LMNAFFAR2TSHRHSPA9HSPA5
SCHEMBL6056801 0.85 LMNA (0.51) LMNAFFAR2TSHRHSPA9HSPA5
SCHEMBL6056845 0.85 HSPA5 (0.60) LMNAFFAR2TSHRHSPA9HSPA5
Hydrochloric Acid SCHEMBL7381658 0.84 LMNA (0.50) LMNAFFAR2TSHRHSPA9HSPA5
Hydrochloric Acid SCHEMBL7417556 0.84 HSPA5 (0.59) LMNAFFAR2TSHRHSPA9HSPA5
SCHEMBL1107000 0.83 ADORA2A (0.68) LMNAFFAR2TSHRHSPA9HSPA5

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 — — US disclosed
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