SCHEMBL6943274

SCHEMBL6943274

O=C(NCC1CCCCC1)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TBXA2R P21731 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 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
SCHEMBL6943278 1.00 MAPT (0.59) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL7369875 0.94 MAPT (0.66) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL6937260 0.81 MAPT (0.59) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6937256 0.81 MAPT (0.59) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL29074799 0.80 MAPT (0.71) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL6941586 0.80 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6941411 0.80 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6941409 0.80 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6946508 0.80 MAPT (0.49) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL6946444 0.80 MAPT (0.57) MAPTALDH1A1POLBKMT2ASMN1; SMN2

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