SCHEMBL7360091

SCHEMBL7360091

O=C(NCCc1cccs1)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.47
TSHR P16473 1/20 0.45
CTSL P07711 1/20 0.44
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MC4R P32245 1/20 0.41

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
SCHEMBL7360101 0.90 ADAM17 (0.46) ADAM17TSHRCTSLKMT2ANPC1
SCHEMBL7356263 0.88 TSHR (0.56) TSHRCTSLKMT2ARAB9ASMN1; SMN2
SCHEMBL7358942 0.87 KMT2A (0.53) CTSLKMT2AMEN1L3MBTL1
SCHEMBL7357544 0.87 ADAM17 (0.45) ADAM17TSHRCTSLKMT2ANPC1
SCHEMBL7356782 0.82 GRIA1 (0.48) KMT2AL3MBTL1
SCHEMBL7359233 0.82 BRS3 (0.51) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8306010 0.81 MMP8 (0.50) KMT2ANPC1RAB9AL3MBTL1
SCHEMBL7353908 0.80 LAP3 (0.50) CTSLKMT2AMEN1L3MBTL1
SCHEMBL8312360 0.80 KMT2A (0.69) TSHRKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL7356251 0.80 TSHR (0.54) TSHRCTSLKMT2ANPC1RAB9A

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-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed