SCHEMBL7850855

SCHEMBL7850855

N[C@@H]1C=CC[C@@H]2CN(c3cc4c(cn3)c(=O)c(OC(=O)O)cn4C3CC3)C[C@@H]21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TOP2A P11388 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TOP2B Q02880 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7851241 0.87 PIK3CG (0.33) PIK3CGKDM4EALDH1A1LMNACYP1A2
SCHEMBL7851048 0.85 PIK3CG (0.33) PIK3CGKDM4EALDH1A1LMNACYP1A2
SCHEMBL9694523 0.84 KDM4E (0.46) PIK3CGKDM4EALDH1A1LMNACYP1A2
SCHEMBL7853924 0.82 TOP2A (0.32) ALDH1A1TOP2ATOP2B
SCHEMBL7852426 0.82 ALDH1A1 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL9416486 0.82 DPP4 (0.34)
Bromide SCHEMBL7851594 0.82 ALDH1A1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL7849739 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7841322 0.79 ALDH1A1 (0.33) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL9694106 0.78 ALDH1A1 (0.42) KDM4EALDH1A1LMNATOP2AHPGD

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
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed