SCHEMBL8977414

SCHEMBL8977414

Nc1cc(F)c(-n2cccc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.34
PTK2 Q05397 1/20 0.30
CYP19A1 P11511 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 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
SCHEMBL20816325 0.82 ALDH1A1 (0.50) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL8291602 0.79 CA12 (0.36) KDM4EGAAALDH1A1PKM
SCHEMBL12963115 0.79 ALDH1A1 (0.38) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL5796819 0.77 MAPT (0.47) ALDH1A1PKMLMNAMAPTMAPK1
SCHEMBL15557613 0.74 LMNA (0.55) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL10915888 0.74 LMNA (0.50) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL8059739 0.74 IDO1 (0.51) GAAALDH1A1LMNAMAPTCYP19A1
SCHEMBL8611564 0.73 GAA (0.46) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL8611823 0.72 ALDH1A1 (0.55) KDM4EGAAALDH1A1PKMLMNA
SCHEMBL22636760 0.71 ALDH1A1 (0.44) KDM4EGAAALDH1A1PKMLMNA

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
US-5554631-A ANTIULCER IL-YANG PHARM. CO., LTD. (KR) 1996-09-10 US disclosed