SCHEMBL9757225

SCHEMBL9757225

NCc1ccc2c(c1)CN(c1cc3c(cc1F)c(=O)c(C(=O)OC=O)cn3C1CC1)C2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
TOP2B Q02880 2/20 0.47
CYP1A2 P05177 1/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
PIK3CG P48736 5/20 0.42
PIK3CD O00329 3/20 0.42
PIK3R1 P27986 3/20 0.42
PIK3CA P42336 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL9757445 0.87 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9844989 0.80 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757402 0.76 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757383 0.75 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757398 0.75 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757674 0.75 PIK3CG (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757220 0.74 PRKD3 (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757408 0.72 KCNH2 (0.55) KDM4EALDH1A1HPGDHSD17B10TOP2B
SCHEMBL9757348 0.71 DPP4 (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9757234 0.71 KCNH2 (0.54) KDM4EALDH1A1HPGDHSD17B10TOP2B

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-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed