SCHEMBL9822158

SCHEMBL9822158

COCc1nc2nccc([S])n2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
ALDH1A1 P00352 6/20 0.34
RXFP1 Q9HBX9 2/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 2/20 0.33
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 3/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9822162 0.83 PKM (0.35) PKMALDH1A1RXFP1POLBMAPK1
SCHEMBL9821978 0.78 SORD (0.42) ALDH1A1RXFP1POLBMAPK1HPGD
SCHEMBL9822209 0.76 RECQL (0.50) ALDH1A1POLBSMN1; SMN2RECQLHPGD
SCHEMBL9822351 0.75 SORD (0.36) ALDH1A1RXFP1POLBMAPK1RECQL
SCHEMBL9822039 0.73 RECQL (0.33) PKMALDH1A1RECQLHTT
SCHEMBL9822150 0.72 KDM4E (0.34) ALDH1A1SMN1; SMN2RECQLHPGDKDM4E
SCHEMBL9822230 0.71 HCAR2 (0.39) PKMALDH1A1KMT2ARECQLHPGD
SCHEMBL9822024 0.70 KDM4E (0.40) PKMALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL9822481 0.70 KDM4E (0.35) ALDH1A1POLBMAPK1RECQLHPGD
SCHEMBL9822008 0.69 ALDH1A1 (0.39) ALDH1A1POLBKMT2ALMNAKDM4E

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