SCHEMBL7388593

SCHEMBL7388593

C=C(C)c1cc(C#N)ccc1C1NC(=O)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
MMP12 P39900 2/20 0.34
TP53 P04637 1/20 0.34
CREBBP Q92793 3/20 0.33
BRD4 O60885 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 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
SCHEMBL7391000 0.80 ELANE (0.43) IDO1ALDH1A1MAPTCHRNA1CHRNG
SCHEMBL7388034 0.77 ALDH1A1 (0.42) IDO1ALDH1A1MAPTCHRNA1CHRNG
SCHEMBL7391436 0.77 TDP1 (0.44) IDO1ALDH1A1MAPTCHRNA1CHRNG
SCHEMBL7398567 0.76 IDO1 (0.36) IDO1ALDH1A1MAPTCHRNA1CHRNG
SCHEMBL7397588 0.76 ELANE (0.45) ALDH1A1MMP12CYP11B2
SCHEMBL7393339 0.76 IDO1 (0.36) IDO1ALDH1A1MAPTCHRNA1CHRNG
SCHEMBL7395287 0.72 ELANE (0.42) IDO1ALDH1A1MAPTGAAKDM4E
SCHEMBL7394217 0.72 KDM4E (0.41) IDO1ALDH1A1MAPTLTKGSK3B
SCHEMBL7401354 0.72 LMNA (0.44) IDO1ALDH1A1MAPTMMP12TDP1
SCHEMBL7395901 0.72 ALDH1A1 (0.45) IDO1ALDH1A1MAPTCHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863947-A Phenylglycine derivatives useful for treating disorders of the central nervous system ELI LILLY AND COMPANY LIMITED (GB) 1999-01-26 US disclosed
EP-0807621-A1 Derivatives of phenylglycine and use thereof as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1997-11-19 EP disclosed