SCHEMBL9754355

SCHEMBL9754355

COC(=O)c1cccc(C(Br)Br)c1[N+](=O)[O-].COC(=O)c1cccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
ERN1 O75460 3/20 0.39
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 2/20 0.34
BRAF P15056 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9524223 0.97 TSHR (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ERN1
SCHEMBL358711 0.89 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1ERN1
SCHEMBL27738198 0.82 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL16959260 0.79 SMN1; SMN2 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL16635495 0.78 BRAF (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1ERN1
SCHEMBL25517668 0.77 SMN1; SMN2 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL16962614 0.77 SMN1; SMN2 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL3780457 0.77 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL20746265 0.77 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL9522868 0.77 KMT2A (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1POLB

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
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed