SCHEMBL9148779

SCHEMBL9148779

CCn1cc(C(=O)O)c(=O)c2ccc(N3CC4C(C)C=CC(N)C4C3)c(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
HSD17B10 Q99714 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 7/20 0.40
PMP22 Q01453 1/20 0.39
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ABCC4 O15439 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.37
PIK3CG P48736 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
APEX1 P27695 1/20 0.37
TSHR P16473 4/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 2/20 0.36

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
SCHEMBL9416478 0.89 TDP1 (0.32) TDP1KCNH2
SCHEMBL9146529 0.86 LMNA (0.37) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL7849723 0.84 LMNA (0.41) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9149179 0.83 CYP3A4 (0.47) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9146597 0.83 CYP3A4 (0.47) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9146602 0.83 CYP3A4 (0.47) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9149043 0.81 EPHA2 (0.52) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9145431 0.76 KCNH2 (0.47) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL8783289 0.76 KCNH2 (0.46) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL7849348 0.76 KDM4E (0.39) KDM4EHSD17B10ALDH1A1HPGDPMP22

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-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 EP disclosed