SCHEMBL6975487

SCHEMBL6975487

N=C1NCCCCC1Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.41
ALDH1A1 P00352 8/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 4/20 0.33
CHRM5 P08912 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM1 P11229 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL6973085 0.82 USP2 (0.41) USP2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL5757749 0.78 GAA (0.41) USP2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL6979837 0.75 POLB (0.51) ALDH1A1KMT2APOLB
Hydrochloric Acid SCHEMBL6971865 0.74 POLB (0.50) ALDH1A1KMT2APOLB
SCHEMBL6978974 0.73 HSD17B10 (0.38) HPGDKMT2AMEN1GAAMAPT
Hydrochloric Acid SCHEMBL6973640 0.72 HSD17B10 (0.37) HPGDKMT2AMEN1MAPTPOLB
SCHEMBL5593779 0.71 USP2 (0.44) USP2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL8522199 0.69 USP2 (0.56) USP2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL6969918 0.68 USP2 (0.41) USP2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL6975490 0.68 KMT2A (0.41) USP2ALDH1A1SMN1; SMN2HPGDKMT2A

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 9 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 claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
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-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