SCHEMBL6970067

SCHEMBL6970067

CS(=O)(=O)NCCC(c1ccco1)N1CCCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 9/20 0.41
GFER P55789 2/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL6966808 0.65 ALDH1A1 (0.35) KMT2AALDH1A1GFERPOLBMAPT
SCHEMBL3456274 0.63 ALDH1A1 (0.43) KMT2AALDH1A1GFERPOLBMAPT
SCHEMBL9832128 0.61 ALDH1A1 (0.38) KMT2AALDH1A1GFERPOLBMAPT
SCHEMBL27544537 0.60 LMNA (0.57) KMT2APOLBTDP1MEN1LMNA
SCHEMBL12513636 0.60 ALDH1A1 (0.47) KMT2AALDH1A1MAPTMEN1GLA
SCHEMBL14435408 0.59 ALDH1A1 (0.49) KMT2AALDH1A1MAPTMEN1GLA
SCHEMBL18923715 0.58 LMNA (0.46) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL14337053 0.58 MEN1 (0.63) KMT2AL3MBTL1MEN1
SCHEMBL13657207 0.58 LMNA (0.53) KMT2AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL18117847 0.57 LMNA (0.49) KMT2AALDH1A1MAPTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed