SCHEMBL7359233

SCHEMBL7359233

O=C(NCCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.51
KMT2A Q03164 2/20 0.47
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
F10 P00742 1/20 0.43
NPC1 O15118 1/20 0.43
CNR1 P21554 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
MDM2 Q00987 1/20 0.43

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
SCHEMBL7358942 0.94 KMT2A (0.53) BRS3KMT2AF10
SCHEMBL7359244 0.90 BRS3 (0.51) BRS3KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL7355264 0.89 MMP1 (0.47) BRS3KMT2AMMP1MMP3ITGB1
SCHEMBL7362851 0.87 KMT2A (0.59) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7361056 0.86 BRS3 (0.47) BRS3KMT2A
SCHEMBL7356782 0.86 GRIA1 (0.48) KMT2A
SCHEMBL8306010 0.85 MMP8 (0.50) KMT2ANPC1CNR1RAB9A
SCHEMBL7358956 0.83 KMT2A (0.51) BRS3KMT2AF10
SCHEMBL7353908 0.82 LAP3 (0.50) KMT2AITGA4ITGB7
SCHEMBL8312360 0.82 KMT2A (0.69) KMT2ARAB9ASMN1; SMN2MMP2

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