SCHEMBL7345552

SCHEMBL7345552

O=c1[nH]c2c(cc1Cl)-c1cnccc1CCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
BUB1 O43683 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
CDC7 O00311 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPY5R Q15761 9/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B2 P19099 1/20 0.34
CDC25B P30305 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 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
SCHEMBL7337834 0.89 PKN2 (0.41) PKN1PKN2BUB1SIGMAR1CDC7
SCHEMBL7345382 0.81 KDM4E (0.55) PKN1PKN2CDC7ALDH1A1HSD17B10
SCHEMBL7338904 0.80 KDM4E (0.39) PKN1PKN2SIGMAR1CDC7ALDH1A1
SCHEMBL7345043 0.76 PKN1 (0.35) PKN1PKN2BUB1SIGMAR1CDC7
SCHEMBL7340801 0.73 AURKB (0.43) PKN1PKN2BUB1SIGMAR1CDC7
SCHEMBL3599167 0.72 MAOA (0.53) PKN1PKN2SIGMAR1MAPK1CYP11B2
SCHEMBL29649256 0.72 MAOA (0.53) PKN1PKN2SIGMAR1MAPK1CYP11B2
SCHEMBL7338824 0.72 KDM4E (0.48) ALDH1A1HSD17B10KDM4EHPGDCYP11B2
Hydrochloric Acid SCHEMBL7258529 0.71 MAOA (0.52) PKN1PKN2SIGMAR1MAPK1CYP11B2
SCHEMBL7342347 0.71 CES1 (0.44) ALDH1A1HSD17B10POLBMAPTALOX15

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-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed