SCHEMBL9822174

SCHEMBL9822174

Cc1cc([S])n2nc(CO)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.40
PDE10A Q9Y233 3/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9822087 0.87 RECQL (0.58) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL1464710 0.84 RECQL (0.73) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822139 0.81 RECQL (0.35) RECQLALDH1A1HTTKDM4E
SCHEMBL7100505 0.81 RECQL (0.54) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822209 0.81 RECQL (0.50) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9300412 0.80 RECQL (0.53) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL18373030 0.80 RECQL (0.53) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822117 0.78 RECQL (0.33) RECQLALDH1A1HTT
SCHEMBL9822393 0.76 ALDH1A1 (0.34) RECQLALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL9822191 0.76 TSHR (0.34) RECQLALDH1A1HTTKDM4ETSHR

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
US-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed