SCHEMBL8397454

SCHEMBL8397454

Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C(O)P(=O)(O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
POLB P06746 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL8394842 0.88 TBXA2R (0.48) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL8398648 0.85 TBXA2R (0.51) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL8398691 0.83 TBXA2R (0.46) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL29380207 0.83 TBXA2R (0.46) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8395390 0.83 PDE7A (0.48) ALDH1A1TDP1LMNAHPGDSMN1; SMN2
SCHEMBL8397457 0.83 MAPT (0.46) ALDH1A1TDP1TSHRLMNAHPGD
SCHEMBL8398681 0.83 ALDH1A1 (0.47) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL8394756 0.83 CES2 (0.41) ALDH1A1HTTKMT2AMEN1POLB
SCHEMBL8395016 0.82 TBXA2R (0.49) ALDH1A1TDP1TSHRLMNAHTT
SCHEMBL8398440 0.82 GRIN2D (0.41) ALDH1A1TDP1TSHRLMNAHTT

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