SCHEMBL6941192

SCHEMBL6941192

COC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.50
YAP1 P46937 1/20 0.50
HTT P42858 2/20 0.46
PKM P14618 1/20 0.45
HCAR3 P49019 1/20 0.45
SLC6A3 Q01959 1/20 0.44
OPRK1 P41145 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 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
SCHEMBL6940663 1.00 MAPT (0.52) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6943673 0.86 MAPT (0.48) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6943675 0.86 MAPT (0.48) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6941409 0.86 MAPT (0.58) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6941411 0.86 MAPT (0.58) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6941586 0.86 MAPT (0.58) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6944865 0.80 MAPT (0.64) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6941197 0.79 MAPT (0.62) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL7186417 0.78 MAPT (0.53) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL7186411 0.78 MAPT (0.53) MAPTALDH1A1LMNACRHBPCRHR2

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 2 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