SCHEMBL7355235

SCHEMBL7355235

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.40
CAPN1 P07384 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.38
REN P00797 1/20 0.38
PTGFR P43088 1/20 0.38

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
SCHEMBL7361103 0.89 TACR1 (0.44) KMT2ARAB9AMEN1GAA
SCHEMBL7355167 0.88 KMT2A (0.46) ALDH1A1KMT2AKDM4EHIF1AMAPT
SCHEMBL7355177 0.87 KMT2A (0.44) ALDH1A1KMT2AKDM4EHIF1AMAPT
SCHEMBL7357556 0.85 OPRM1 (0.47) KMT2ARAB9AMEN1GAA
SCHEMBL7359741 0.84 KMT2A (0.62) ALDH1A1KMT2AMAPTMEN1CAPN1
SCHEMBL7364215 0.83 RAB9A (0.51) KMT2ARAB9AMEN1
SCHEMBL7354780 0.78 LMNA (0.49) ALDH1A1KMT2ATDP1RAB9AGAA
SCHEMBL19289851 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EHIF1ATDP1
SCHEMBL5879436 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EHIF1AMAPT
SCHEMBL5879498 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EHIF1AMAPT

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