SCHEMBL14451659

SCHEMBL14451659

CC(C)(Sc1nc(CC(=O)Nc2ccc(Br)cn2)cs1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ PPARA Q07869 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CTPS1 P17812 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ AHR P35869 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
SCHEMBL2412085 0.89 ALDH1A1 (0.43) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL2409605 0.79 MEN1 (0.57) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL2412445 0.77 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5561572 0.76 MAPT (0.54) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL2408480 0.76 MAPT (0.43) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL2415348 0.75 HSD17B10 (0.49) ALDH1A1LMNAMAPTRAB9AGAA
SCHEMBL2412833 0.74 MAPT (0.46) TSHRKMT2AMEN1LMNAMAPT
SCHEMBL2413792 0.74 CTPS1 (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2413442 0.74 CTPS1 (0.48) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL2412613 0.73 MAPT (0.35) TSHRKMT2AMEN1ALDH1A1LMNA

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
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 — — EP disclosed
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