SCHEMBL9130823

SCHEMBL9130823

Cc1cccc2ncc(C(=O)Nc3ccccc3)c(=O)n12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.58
RAB9A P51151 9/20 0.58
NPC1 O15118 9/20 0.58
HPGD P15428 7/20 0.58
HTT P42858 2/20 0.58
GAA P10253 2/20 0.58
PKM P14618 1/20 0.58
HSD17B10 Q99714 8/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 5/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 4/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL9595033 0.89 NPC1 (0.49) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL9131206 0.89 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL18608342 0.86 GBA1 (0.48) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL9128642 0.84 HPGD (0.44) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL18608559 0.83 NPC1 (0.53) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL18608415 0.83 MAPT (0.56) SMN1; SMN2RAB9ANPC1HTTGAA
SCHEMBL18608548 0.83 NPC1 (0.48) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL18608343 0.82 NR3C1 (0.50) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL18608346 0.82 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL9128607 0.82 KDM4E (0.51) SMN1; SMN2RAB9ANPC1HPGDHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387588-A Antiulcer agents CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-02-07 US disclosed
US-5252572-A Antiulcer agent CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-10-12 US disclosed
US-5158951-A Pyridopyrimidine derivatives useful in treatment of ulcers CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYAR RT. (HU) 1992-10-27 US disclosed