SCHEMBL9280321

SCHEMBL9280321

COC(=O)c1nc(Cc2ccccc2)n(C)c1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.48
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADCY10 Q96PN6 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PLA2G2A P14555 3/20 0.41
PTGES O14684 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL20477374 0.85 RNASEH1 (0.47) RNASEH1CYP1A2SMN1; SMN2RXFP1L3MBTL1
SCHEMBL20477354 0.85 ADCY10 (0.43) RNASEH1ADCY10RXFP1PLA2G2AHDAC6
SCHEMBL22079307 0.83 RNASEH1 (0.57) RNASEH1CYP1A2SMN1; SMN2RXFP1L3MBTL1
SCHEMBL20477364 0.81 RNASEH1 (0.44) RNASEH1CYP1A2SMN1; SMN2ADCY10RXFP1
SCHEMBL21332907 0.77 RNASEH1 (0.43) RNASEH1CYP1A2SMN1; SMN2RXFP1L3MBTL1
SCHEMBL20477334 0.77 ADCY10 (0.38) RNASEH1ADCY10RXFP1L3MBTL1PLA2G2A
SCHEMBL20477331 0.77 ADCY10 (0.38) RNASEH1ADCY10RXFP1L3MBTL1PLA2G2A
SCHEMBL20477232 0.77 RNASEH1 (0.41) RNASEH1CYP1A2SMN1; SMN2RXFP1L3MBTL1
SCHEMBL20477235 0.77 RNASEH1 (0.41) RNASEH1CYP1A2SMN1; SMN2RXFP1L3MBTL1
SCHEMBL13218114 0.74 MAPT (0.48) RNASEH1RXFP1HDAC6PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313724-B1 Bis (acyloxymethyl) imidazole Derivative UNIV NEW YORK STATE RES FOUND (US) 1995-08-09 EP disclosed
US-5329012-A Bactericides, fungicides or antitumor agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-07-12 US disclosed
EP-0313724-A2 Bis (acyloxymethyl) imidazole Derivative THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1989-05-03 EP disclosed