SCHEMBL5317484

SCHEMBL5317484

O=C(NCc1ccco1)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PKM P14618 1/20 0.44
HPGD P15428 5/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL15741796 0.84 HPGD (0.44) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD
SCHEMBL14266823 0.83 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL4579300 0.82 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HPGDMAPK1HTT
SCHEMBL4581018 0.80 CYP1A2 (0.48) ALDH1A1KMT2AMEN1HPGDMAPK1
SCHEMBL14266821 0.79 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL4579596 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL15741702 0.78 MEN1 (0.55) ALDH1A1KMT2ATDP1MEN1SMN1; SMN2
SCHEMBL4580115 0.78 HPGD (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL14286997 0.77 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1MEN1RAB9A
SCHEMBL4581265 0.77 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MEN1RAB9A

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-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO disclosed