SCHEMBL7447135

SCHEMBL7447135

CCOC(=O)c1cc2cc(CBr)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HSD17B10 Q99714 1/20 0.70
NPC1 O15118 2/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
MMP13 P45452 8/20 0.64
MMP2 P08253 6/20 0.64
MEN1 O00255 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
MMP14 P50281 4/20 0.60

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
SCHEMBL829242 0.90 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7447241 0.89 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13174359 0.87 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7365199 0.86 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3560424 0.85 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10395119 0.84 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL333895 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31435632 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7447740 0.83 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5842347 0.83 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO disclosed