SCHEMBL9624840

SCHEMBL9624840

Oc1cccc(O)c1-c1cccc2c1N=N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 5/20 0.47
MAPK1 P28482 4/20 0.47
ALOX15 P16050 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAOB P27338 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
KDM4E B2RXH2 5/20 0.44
RECQL P46063 5/20 0.44
USP2 O75604 4/20 0.44
CYP3A4 P08684 4/20 0.44
AURKA O14965 2/20 0.44

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
SCHEMBL9624537 0.83 MAPT (0.37) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL9624278 0.79 MAOA (0.34) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL10706519 0.74 MAOA (0.38) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL9761193 0.71
SCHEMBL3999154 0.70 IDO1 (0.39) ALDH1A1TDP1MAPK1HSD17B10HPGD
SCHEMBL2729251 0.69 MAOA (0.56) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL29837181 0.69 MAOA (0.56) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL2961474 0.68 MAOA (0.56) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL8681981 0.67 ALDH1A1 (0.58) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL187843 0.66 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1

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-5164279-A Quinonediazide SHIPLEY COMPANY INC. (US) 1992-11-17 US claimed
US-5164279-A Quinonediazide SHIPLEY COMPANY INC. (US) 1992-11-17 US disclosed