SCHEMBL9734293

SCHEMBL9734293

COC(=O)[C@@H](N=Cc1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MIF P14174 6/20 0.50
MEN1 O00255 4/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 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
SCHEMBL2984292 1.00 KMT2A (0.51) KMT2AMIFMEN1CA1CA2
SCHEMBL2984290 1.00 KMT2A (0.51) KMT2AMIFMEN1CA1CA2
SCHEMBL10855787 1.00 KMT2A (0.51) KMT2AMIFMEN1CA1CA2
SCHEMBL10858254 0.91 MIF (0.59) KMT2AMIFCA1CA2LMNA
SCHEMBL10858256 0.91 MIF (0.59) KMT2AMIFCA1CA2LMNA
SCHEMBL7267672 0.90 MIF (0.48) KMT2AMIFMEN1MAPTNPC1
SCHEMBL7267668 0.90 MIF (0.48) KMT2AMIFMEN1MAPTNPC1
SCHEMBL7267667 0.90 MIF (0.48) KMT2AMIFMEN1MAPTNPC1
SCHEMBL13505156 0.84 MEN1 (0.47) KMT2AMIFMEN1MAPTALDH1A1
SCHEMBL12556215 0.84 MEN1 (0.47) KMT2AMIFMEN1MAPTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164386-A Gastrointestinal and respiratory disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-11-17 US disclosed
EP-0404737-A2 New R(-) 3-quinuclidinol derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-12-27 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4275217-A Process for the preparation of optically active α-amino acids and their derivatives AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1981-06-23 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed