SCHEMBL8296972

SCHEMBL8296972

COC(=O)C[C@@H](N)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.49
GBA1 P04062 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSA P10619 1/20 0.40
PRSS1 P07477 1/20 0.40
GAA P10253 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL1419385 1.00 KCNA5 (0.49) KCNA5GBA1KMT2ASMN1; SMN2F2
SCHEMBL21459309 1.00 KCNA5 (0.49) KCNA5GBA1KMT2ASMN1; SMN2F2
Hydrochloric Acid SCHEMBL21459882 0.98 KCNA5 (0.48) KCNA5GBA1KMT2ASMN1; SMN2F2
Hydrochloric Acid SCHEMBL21459880 0.98 KCNA5 (0.48) KCNA5GBA1KMT2ASMN1; SMN2F2
SCHEMBL22699240 0.85 F10 (0.42) GBA1KMT2AF2F10ALDH1A1
SCHEMBL20545317 0.85 F10 (0.42) GBA1KMT2AF2F10ALDH1A1
SCHEMBL21476155 0.85 F10 (0.42) GBA1KMT2AF2F10ALDH1A1
Hydrochloric Acid SCHEMBL19067189 0.84 IDO1 (0.43) GBA1F2F10ALDH1A1CTSA
SCHEMBL24036698 0.84 KCNA5 (0.37) KCNA5KMT2AF2F10ALDH1A1
SCHEMBL25623852 0.84 KCNA5 (0.37) KCNA5KMT2AF2F10ALDH1A1

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed