SCHEMBL9499264

SCHEMBL9499264

Cc1ccc(NN2C=CC=C(C(=O)O)C2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
HCAR3 P49019 4/20 0.33
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9493946 0.90 LMNA (0.34) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL9494997 0.81
SCHEMBL10600161 0.79 MEN1 (0.43) TSHRMEN1KMT2APOLBALDH1A1
SCHEMBL9495202 0.79 ALOX15 (0.30)
SCHEMBL9496601 0.77 TSHR (0.49) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL9499268 0.74 POLB (0.32) TSHRMEN1KMT2APOLBHCAR3
SCHEMBL9497849 0.71
SCHEMBL9495344 0.69 TP53 (0.33) TSHRMEN1KMT2APOLBHCAR3
SCHEMBL9493952 0.68 ALDH1A1 (0.33) POLBALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL10969677 0.67 KMT2A (0.47) TSHRMEN1KMT2APOLBALDH1A1

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