SCHEMBL6946491

SCHEMBL6946491

COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC2CCC(O)CC2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1C3 P42330 1/20 0.47
MAPT P10636 4/20 0.46
CYP19A1 P11511 2/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6946494 1.00 NPC1 (0.49) NPC1PKMRAB9AAKR1C3MAPT
SCHEMBL6939423 0.91 GABRP (0.51) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6937265 0.91 GABRP (0.51) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6937261 0.91 GABRP (0.51) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6940791 0.90 SSTR5 (0.46) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL6940797 0.90 SSTR5 (0.46) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL6939759 0.87 LMNA (0.46) RAB9AMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL6939757 0.87 LMNA (0.46) RAB9AMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL6940044 0.86 NPSR1 (0.45) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL6940047 0.86 NPSR1 (0.45) NPC1MAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
CN-1305454-A Anthranilic acid derivatives as inhibitors of CGMP phosphodiesterase FUJISAWA PHARMACEUTICAL CO (JP) 2001-07-25 CN disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO disclosed