SCHEMBL8397457

SCHEMBL8397457

O=[N+]([O-])c1ccc(Oc2ccccc2)c(C(O)P(=O)(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP19A1 P11511 2/20 0.45
MLNR O43193 1/20 0.45
MMP1 P03956 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL8394842 0.88 TBXA2R (0.48) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL29380207 0.88 TBXA2R (0.46) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8398691 0.88 TBXA2R (0.46) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8395390 0.88 PDE7A (0.48) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8398648 0.87 TBXA2R (0.51) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8398722 0.86 LMNA (0.52) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8394756 0.84 CES2 (0.41) MAPTALDH1A1MEN1KMT2ATBXA2R
SCHEMBL8398681 0.84 ALDH1A1 (0.47) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8397467 0.84 MERTK (0.46) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL8399971 0.84 HSPB1 (0.43) MAPTLMNAALDH1A1SMN1; SMN2TDP1

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