SCHEMBL26115017

SCHEMBL26115017

O=C1C[C@@H](C(=O)NCc2cc(Br)cs2)N(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.33
METAP2 P50579 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 3/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ADAM17 P78536 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.30
MMP8 P22894 2/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL26115023 1.00 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1HTTTSHRMETAP2
SCHEMBL16634840 0.77 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1METAP2P2RX7KMT2A
SCHEMBL26116791 0.75 MMP2 (0.38) SMN1; SMN2ALDH1A1HTTMETAP2POLB
SCHEMBL26116787 0.75 MMP2 (0.38) SMN1; SMN2ALDH1A1HTTMETAP2POLB
SCHEMBL25366035 0.70 F2 (0.45) SMN1; SMN2ALDH1A1HTTADAM17TDP1
SCHEMBL25366044 0.70 F2 (0.45) SMN1; SMN2ALDH1A1HTTADAM17TDP1
SCHEMBL15240887 0.70 LMNA (0.43) SMN1; SMN2ALDH1A1HTTTSHRMETAP2
SCHEMBL1250785 0.64 MMP2 (0.36) POLBTDP1
SCHEMBL6921106 0.64 MMP2 (0.36) POLBTDP1
SCHEMBL2576147 0.64 MMP2 (0.36) POLBTDP1

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
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed