SCHEMBL11745194

SCHEMBL11745194

COc1cccc(-c2nc3cccnc3o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.60
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
KMT2A Q03164 2/20 0.59
F2 P00734 1/20 0.59
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MAPT P10636 2/20 0.51

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
SCHEMBL1614949 0.84 APP (0.61) SGMS2ALDH1A1HPGDKMT2ARAB9A
SCHEMBL13052998 0.78 ALDH1A1 (0.52) SGMS2ALDH1A1HPGDKMT2ARAB9A
SCHEMBL31503554 0.78 MAOB (0.59) SGMS2ALDH1A1HPGDKMT2ARAB9A
SCHEMBL592290 0.78 ALDH1A1 (0.72) ALDH1A1HPGDKMT2AF2RAB9A
SCHEMBL219488 0.78 NPC1 (0.61) SGMS2ALDH1A1HPGDKMT2ARAB9A
SCHEMBL11649490 0.78 NPC1 (0.64) ALDH1A1HPGDKMT2ARAB9ANPC1
SCHEMBL9867688 0.77 SGMS2 (0.55) SGMS2ALDH1A1HPGDKMT2AF2
SCHEMBL12639231 0.77 RAB9A (0.74) ALDH1A1HPGDKMT2AF2RAB9A
SCHEMBL26833293 0.77 ALDH1A1 (0.49) SGMS2ALDH1A1HPGDKMT2ARAB9A
SCHEMBL14266181 0.76 ALDH1A1 (0.64) ALDH1A1HPGDKMT2AF2RAB9A

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-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 US claimed