SCHEMBL9822152

SCHEMBL9822152

COCc1cc(S)n2nc(C)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTR6 P50406 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9821991 0.81 TDP1 (0.38) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9822243 0.80 TP53 (0.33) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL9822041 0.80 KMT2A (0.44) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9866533 0.76 TDP1 (0.41) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9822200 0.76 KDM4E (0.41) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9822425 0.76 ALDH1A1 (0.40) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9822045 0.76 TDP1 (0.33) TDP1ALDH1A1PKM
SCHEMBL9142254 0.76 SMN1; SMN2 (0.40) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL9821984 0.74 GAA (0.33) TDP1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6261617 0.73 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2TP53GAA

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