SCHEMBL4374020

SCHEMBL4374020

CCOc1cc(N)c(CC=O)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
CREBBP Q92793 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HTT P42858 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
SCHEMBL17653319 0.84 HTR2A (0.44) POLBMAPTL3MBTL1HTR2AHTR2C
SCHEMBL16431851 0.77 HSD17B10 (0.48) LMNAALDH1A1HSD17B10KMT2APOLB
SCHEMBL31714447 0.74 ALDH1A1 (0.46) LMNAALDH1A1HSD17B10KMT2APOLB
SCHEMBL1579468 0.73 KDM4E (0.42) ALDH1A1KDM4EMAPTMAPK1TSHR
SCHEMBL14116545 0.73 MAPT (0.39) LMNAALDH1A1HSD17B10KMT2APOLB
SCHEMBL4772225 0.72 TAAR1 (0.47) ALDH1A1HSD17B10KMT2AKDM4EMEN1
SCHEMBL20819545 0.72 LMNA (0.49) LMNAALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL7893305 0.71 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10KMT2APOLB
SCHEMBL21598387 0.71 TSHR (0.45) LMNAALDH1A1KMT2AHPGDTSHR
SCHEMBL10967724 0.71 LMNA (0.57) LMNAALDH1A1HSD17B10KMT2APOLB

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-2118072-A1 3 - CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2008090353-A1 3 - CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER ASTRAZENECA AB (SE) 2008-07-31 WO disclosed