SCHEMBL7656031

SCHEMBL7656031

COc1cccc(-n2nc(-c3ccccc3)[nH]c2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ATM Q13315 1/20 0.49
NTRK1 P04629 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
NTRK2 Q16620 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 2/20 0.46

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
SCHEMBL7659631 0.86 ATM (0.62) L3MBTL1ATMHPGDKDM4ENPC1
SCHEMBL7653825 0.86 ATM (0.58) L3MBTL1ATMHPGDKDM4ETSHR
SCHEMBL7652832 0.83 RPA1 (0.51) L3MBTL1HPGDKDM4ENPC1ALDH1A1
SCHEMBL7650664 0.82 ADORA3 (0.44) L3MBTL1HPGDKDM4ETSHRNPC1
SCHEMBL15137228 0.82 L3MBTL1 (0.48) L3MBTL1KDM4ETSHRNPC1ALDH1A1
SCHEMBL7656709 0.82 NPC1 (0.48) L3MBTL1ATMHPGDKDM4EHSD17B10
SCHEMBL7655377 0.81 ADORA3 (0.46) ALDH1A1KMT2AMAPTMGLLADORA3
SCHEMBL16590395 0.80 MGLL (0.44) L3MBTL1NPC1NFKB1RAB9ANFKB2
SCHEMBL15137129 0.77 L3MBTL1 (0.48) L3MBTL1ATMNPC1ALDH1A1RAB9A
SCHEMBL28113658 0.77 L3MBTL1 (0.51) L3MBTL1NTRK1IGF1RFGFR1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed