SCHEMBL9499268

SCHEMBL9499268

Cc1ccc(NN2C=C(C(=O)O)C=CC2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR3 P49019 1/20 0.30

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
SCHEMBL9493952 0.90 ALDH1A1 (0.33) POLBALDH1A1TDP1
SCHEMBL9495007 0.80
SCHEMBL9496610 0.77 MAPT (0.47) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL9495474 0.76 RAB9A (0.40) POLBMEN1KMT2AALDH1A1
SCHEMBL9499264 0.74 TSHR (0.35) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL9493946 0.68 LMNA (0.34) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL10969677 0.66 KMT2A (0.47) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL2381586 0.64 TSHR (0.54) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL9494505 0.62 KMT2A (0.46) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL3192684 0.61 ALDH1A1 (0.62) MEN1KMT2ATSHRALDH1A1TDP1

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed