SCHEMBL6946444

SCHEMBL6946444

O=C(NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
PKM P14618 2/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
TRPA1 O75762 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CDK2 P24941 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL6937085 0.92 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL6937260 0.90 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6937256 0.90 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6938854 0.86 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6941778 0.85 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6944586 0.84 MAPT (0.55) MAPTRAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL6944589 0.84 MAPT (0.55) MAPTRAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL6943780 0.84 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6943782 0.84 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6937019 0.84 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 1 patent. 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 claimed