SCHEMBL8416482

SCHEMBL8416482

N=C(N)NCCC[C@H](N)C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.47
HDAC3 O15379 8/20 0.47
HDAC2 Q92769 7/20 0.47
HDAC4 P56524 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
METAP2 P50579 3/20 0.43
KDM4E B2RXH2 1/20 0.42
OPRM1 P35372 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PLAU P00749 2/20 0.41
PPARG P37231 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
F2 P00734 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
Bromide SCHEMBL11101365 0.99 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7549487 0.92 NPY4R (0.46) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3847129 0.86 POLB (0.43) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL25403520 0.86 POLB (0.43) HDAC1HDAC3HDAC2HDAC4HDAC7
Hydrochloric Acid SCHEMBL9618470 0.84 POLB (0.42) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8512961 0.84 MCHR1 (0.42) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8515668 0.84 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL537084 0.83 NPY4R (0.45) METAP2
SCHEMBL6553737 0.83 ITGB3 (0.45) PRSS1
Hydrochloric Acid SCHEMBL7850288 0.83 NPY4R (0.44) METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095502-A1 Antimicrobial Metal-Binding Polymers SARANGAPANI SHANTHA (US) 2017-04-06 US disclosed
WO-2016097957-A2 GENETIC SYSTEM FOR PRODUCING A PROTEASES INHIBITOR OF A SMALL PEPTIDE ALDEHYDE TYPE CENTRO DE INVESTIGACIÓN Y DE ESTUDIOS AVANZADOS DEL INSTITUTO POLITÉCNICO NACIONAL (MX) 2016-06-23 WO disclosed
EP-0791071-B1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS INC (US) 1999-09-15 EP disclosed
EP-0791071-A1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1997-08-27 EP disclosed
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US disclosed
WO-1996015255-A2 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1996-05-23 WO disclosed
EP-0554314-A1 A METHOD OF DETERMINING PORPHYROMONAS GINGIVALIS. WIKSTROEM MAUDE BIRGITTA (SE) 1993-08-11 EP disclosed
WO-1992007086-A1 A METHOD OF DETERMINING PORPHYROMONAS GINGIVALIS WIKSTROEM MAUDE BIRGITTA (SE) 1992-04-30 WO disclosed
US-4318847-A ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-03-09 US disclosed