SCHEMBL11067992

SCHEMBL11067992

O=C(O)c1cc2c([nH]c1=O)OCc1cccnc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TBXAS1 P24557 1/20 0.35
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
AGER Q15109 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
NAPRT Q6XQN6 2/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL11068819 0.81 MAOA (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL27200075 0.78 KDM4E (0.44) KDM4ETDP1ROCK2SMN1; SMN2LMNA
SCHEMBL11071902 0.70 MAOA (0.44) KDM4ETDP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7346618 0.70 AURKA (0.36) KDM4ETDP1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11073271 0.69 MAOA (0.42) KDM4ETDP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL21358213 0.69 KDM4E (0.42) KDM4ETDP1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11090600 0.68 MAOA (0.41) KDM4ETDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL1728678 0.67 MAOA (0.47) KDM4ETDP1ROCK2LMNAALDH1A1
SCHEMBL7345232 0.67 KDM4E (0.46) KDM4ETDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL11074658 0.67 AURKA (0.33) KDM4ETDP1

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-4474786-A CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1984-10-02 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed