SCHEMBL11256255

SCHEMBL11256255

CC(C)C(C)(C#N)NC(=O)C(Br)CBr

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
MAPT P10636 1/20 0.31
ANO1 Q5XXA6 1/20 0.30
DPP4 P27487 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 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
SCHEMBL8097402 0.82 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL8097337 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL11383008 0.75 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL9169273 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNATSHRGAA
SCHEMBL11254150 0.73 ANO1 (0.32) ANO1
SCHEMBL11256352 0.73 LMNA (0.32) LMNA
SCHEMBL7213661 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL9510245 0.70 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL10809433 0.69
SCHEMBL7220027 0.68 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA

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
US-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US disclosed
EP-0025345-A1 N-cyanoalkyl haloacetamides, preparation thereof, use thereof as herbicide antidotes and compositions comprising same STAUFFER CHEMICAL COMPANY (US) 1981-03-18 EP disclosed