SCHEMBL8329455

SCHEMBL8329455

N=C(N)N(c1ccc2cccc3c2c1C=C3)c1cc2ccccc2oc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
TYR P14679 1/20 0.36
DAO P14920 1/20 0.36
AKR1B1 P15121 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F12 P00748 1/20 0.36
MAOB P27338 4/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 2/20 0.34
CA3 P07451 1/20 0.34
TSHR P16473 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
GPR35 Q9HC97 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL8330881 0.82 P2RX4 (0.35) HPGDTSHRCYP1A2ALDH1A1
SCHEMBL9112654 0.74 CHEK1 (0.36) HPGDTSHRALDH1A1
SCHEMBL6155120 0.74 SMN1; SMN2 (0.49) HPGDSMN1; SMN2MAOBMAPTKDM4E
SCHEMBL6156768 0.73 SIGMAR1 (0.40)
SCHEMBL9115151 0.73 P2RX4 (0.35)
SCHEMBL6155646 0.73 P2RX4 (0.35)
SCHEMBL8397893 0.73
SCHEMBL9112965 0.72 ALDH1A1 (0.40) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL6155731 0.71 KDM4E (0.35) CA1MAPTKDM4ECA2GAA
SCHEMBL6155321 0.68 SIGMAR1 (0.30)

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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed