SCHEMBL7015247

SCHEMBL7015247

O=C(Nc1nccs1)Oc1ccc2cccnc2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7016457 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7020816 0.79 HSP90AA1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL7018630 0.78 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL7011986 0.77 HSP90AA1 (0.51) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL7015297 0.77 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL7017485 0.75 EGLN1 (0.52) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL7017772 0.74 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL145495 0.74 RAB9A (0.65) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL7016726 0.72 SMN1; SMN2 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL27575240 0.71 KDM4E (0.53) ALDH1A1SMN1; SMN2TP53MEN1KMT2A

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
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed