SCHEMBL6595265

SCHEMBL6595265

CC(=O)C(N)C#Cc1cc(C(=O)O)nc2c(N)cccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
FDPS P14324 1/20 0.34
PARP1 P09874 1/20 0.33
ELANE P08246 1/20 0.33
ALOX15 P16050 2/20 0.33
GPR35 Q9HC97 2/20 0.32
CDC25B P30305 2/20 0.30
CDC25A P30304 1/20 0.30
CDC25C P30307 1/20 0.30
TSHR P16473 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
MMP2 P08253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL6080156 0.99 KDM4E (0.35) KDM4ETDP1FDPSPARP1ELANE
SCHEMBL6601268 0.84 GPR35 (0.36) KDM4ETDP1ALOX15GPR35TSHR
SCHEMBL6591659 0.79 NPC1 (0.44) KDM4ETDP1FDPSALOX15CDC25B
SCHEMBL6595255 0.78 FDPS (0.36) KDM4ETDP1FDPSPARP1ELANE
Hydrochloric Acid SCHEMBL6080146 0.77 FDPS (0.35) KDM4ETDP1FDPSPARP1ELANE
SCHEMBL6599957 0.76 CTSL (0.46) KDM4ETDP1FDPSPARP1MAPT
SCHEMBL6079951 0.76 PARP1 (0.35) KDM4ETDP1PARP1ELANE
SCHEMBL6080191 0.74 KDM4E (0.45) KDM4ETDP1FDPSPARP1ELANE
SCHEMBL6080058 0.71 KDM4E (0.46) KDM4ETDP1FDPSPARP1ELANE
SCHEMBL6080487 0.70 ALDH1A1 (0.42) KDM4ETDP1FDPSPARP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed