SCHEMBL9355248

SCHEMBL9355248

CONC(C(=O)O)c1csc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
HSD17B10 Q99714 3/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 1/20 0.35
NOS1 P29475 1/20 0.34
PKM P14618 1/20 0.33
PIK3CG P48736 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10753156 1.00 BACE1 (0.41) BACE1HSD17B10GABRA5GABRB2ALDH1A1
SCHEMBL8336518 0.88 BACE1 (0.41) BACE1HSD17B10GABRA5GABRB2ALDH1A1
SCHEMBL8871075 0.76 HSD17B10 (0.41) BACE1HSD17B10GABRA5GABRB2ALDH1A1
SCHEMBL9483248 0.76 PTPRB (0.39) HSD17B10GABRA5GABRB2MEN1KMT2A
SCHEMBL7828361 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27568111 0.76 HSD17B10 (0.38) BACE1HSD17B10GABRA5GABRB2ALDH1A1
SCHEMBL1565803 0.75 HSD17B10 (0.46) BACE1HSD17B10GABRA5GABRB2ALDH1A1
SCHEMBL27386599 0.75 GABRA5 (0.37) BACE1HSD17B10GABRA5GABRB2ALDH1A1
Hydrochloric Acid SCHEMBL27656212 0.75 GABRA5 (0.37) BACE1HSD17B10GABRA5GABRB2ALDH1A1
SCHEMBL10976928 0.74 CASP2 (0.41) ALDH1A1SMN1; SMN2MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347777-B1 Process for preparing cephalosporins and intermediates therefor BIOCHEMIE SA (ES) 1994-11-09 EP disclosed