SCHEMBL9204340

SCHEMBL9204340

COc1ccc(CSC2C[C@@H](C(=O)N(C)C)N=C2N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GSK3B P49841 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 2/20 0.35
HTT P42858 1/20 0.34
ALOX5 P09917 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TP53 P04637 1/20 0.34
HTR2A P28223 1/20 0.34
P2RX7 Q99572 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL9198063 0.89 IDO1 (0.40) FFAR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9197120 0.84 ALOX5 (0.38) FFAR1ALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL9200198 0.84 ALOX5 (0.38) FFAR1ALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL9201906 0.74 CRBN (0.37) ALDH1A1HPGDSMN1; SMN2MAPTIDO1
SCHEMBL9196923 0.74 CRBN (0.41) ALDH1A1HPGDSMN1; SMN2MAPTIDO1
SCHEMBL9201296 0.74 CRBN (0.41) ALDH1A1HPGDSMN1; SMN2MAPTIDO1
SCHEMBL9205215 0.70 IDO1 (0.42) FFAR1ALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL8938869 0.67 IDO1 (0.57) FFAR1ALDH1A1SMN1; SMN2IDO1HTT
SCHEMBL9201975 0.65 FABP7 (0.43) SMN1; SMN2TP53
SCHEMBL9197046 0.64 MMP1 (0.43) FFAR1ALDH1A1HPGDMAPTIDO1

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-0406863-B1 Cyclic amidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-05-24 EP disclosed
US-5100888-A Bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-31 US disclosed
EP-0406863-A1 Cyclic amidinylthiocarbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-01-09 EP disclosed