SCHEMBL8395390

SCHEMBL8395390

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(C(O)P(=O)(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.48
TBXA2R P21731 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.43
HSPB1 P04792 2/20 0.43
NPC1 O15118 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL8398691 0.88 TBXA2R (0.46) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL29380207 0.88 TBXA2R (0.46) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL8394842 0.88 TBXA2R (0.48) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL8397457 0.88 MAPT (0.46) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL8394756 0.85 CES2 (0.41) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL8397467 0.85 MERTK (0.46) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL8398681 0.85 ALDH1A1 (0.47) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL8399971 0.85 HSPB1 (0.43) PDE7AALDH1A1MEN1KMT2AGAA
SCHEMBL8397454 0.83 ALDH1A1 (0.46) PDE7ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL8398648 0.80 TBXA2R (0.51) TBXA2RALDH1A1MEN1KMT2AMAPT

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
US-5994563-A THIOPHENE DERIVATIVES, IMMUNOSUPPRESSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-11-30 US disclosed