SCHEMBL11263733

SCHEMBL11263733

C=CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 3/20 0.39
HCAR3 P49019 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GPR35 Q9HC97 2/20 0.36
MAPT P10636 3/20 0.35
CYP2C9 P11712 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TTR P02766 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL11263723 1.00 KMT2A (0.43) KMT2AHTTCA1CA2POLB
SCHEMBL674957 0.80 ALDH1A1 (0.45) KMT2AHTTCA1CA2POLB
SCHEMBL674959 0.80 ALDH1A1 (0.45) KMT2AHTTCA1CA2POLB
SCHEMBL30853117 0.75 GPR35 (0.54) KMT2AHTTCA1CA2POLB
SCHEMBL5141227 0.75 GPR35 (0.54) KMT2AHTTCA1CA2POLB
SCHEMBL11263727 0.74 CYP1A2 (0.39) KMT2AHTTCA1CA2POLB
SCHEMBL9508458 0.73 CYP3A4 (0.44) KMT2AHTTCA1CA2POLB
SCHEMBL9510610 0.73 TDP1 (0.41) KMT2AHTTCA1CA2POLB
SCHEMBL11442960 0.72 POLB (0.44) KMT2AHTTPOLBTDP1ALDH1A1
SCHEMBL10363810 0.72 GPR35 (0.44) KMT2AHTTPOLBTDP1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4361436-A Composition for plant growth regulation GAF CORPORATION (US) 1982-11-30 US disclosed
US-4328026-A PLANT GROWTH REGULATORS, ETHYLENE GENERATORS GAF CORPORATION (US) 1982-05-04 US disclosed