SCHEMBL10959445

SCHEMBL10959445

O=C1c2ccccc2C(=O)N1CCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LPAR3 Q9UBY5 1/20 0.52
SCN2A Q99250 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5151263 0.96 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL3996600 0.94 RAB9A (0.64) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9337119 0.85 RAB9A (0.68) RAB9AMAPTSMN1; SMN2KMT2AHPGD
SCHEMBL8488827 0.82 RAB9A (0.62) RAB9AMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL10959880 0.81 RAB9A (0.57) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL18703794 0.79 RAB9A (0.50) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL7005241 0.79 RAB9A (0.57) RAB9AMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL6620808 0.79 SIGMAR1 (0.60) KMT2ATDP1HPGDL3MBTL1SCN2A
SCHEMBL14028449 0.79 CHRNB2 (0.69) MAPTKMT2ACHRNB2CHRNA4LMNA
SCHEMBL7299163 0.79 RAB9A (1.00) RAB9AMAPTSMN1; SMN2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4510309-A ANTISECRETORY AND ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1985-04-09 US disclosed
US-4471122-A Thiadiazole histamine H2 -antagonists BRISTOL-MYERS COMPANY (US) 1984-09-11 US disclosed
EP-0099121-A2 Pharmaceutical compositions Bristol-Myers Company (US) 1984-01-25 EP disclosed
US-4394508-A ANTIULCER AND ANTISECRETORY AGENTS; HISTAMINE ANTAGONIST BRISTOL-MYERS COMPANY (US) 1983-07-19 US disclosed
US-4380639-A ANTIULCER AND ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4380638-A ANTIULCER AND ANTISECRETORY AGENTS; DERIVATIVES OF 3-AMINO-4-HET-A BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4374248-A ANTIHISTAMINES, ANTIULCER BRISTOL-MYERS COMPANY (US) 1983-02-15 US disclosed