SCHEMBL9864950

SCHEMBL9864950

C=CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.59
F13A1 P00488 1/20 0.53
LMNA P02545 1/20 0.53
TGM1 P22735 1/20 0.53
TGM3 Q08188 1/20 0.53
CYP19A1 P11511 1/20 0.49
HTT P42858 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
RORC P51449 1/20 0.43
EGFR P00533 2/20 0.42
ERBB2 P04626 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
DNMT1 P26358 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL22719895 0.88 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3
SCHEMBL29505040 0.88 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3
SCHEMBL9864586 0.86 TGM2 (0.64) TGM2F13A1LMNATGM1TGM3
SCHEMBL9864596 0.82 ALDH1A1 (0.59) TGM2F13A1LMNATGM1TGM3
SCHEMBL31596293 0.82 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3
SCHEMBL31596038 0.82 TGM2 (0.59) TGM2F13A1LMNATGM1TGM3
SCHEMBL9937593 0.80 HTT (0.66) LMNACYP19A1HTTMEN1KMT2A
SCHEMBL9995213 0.79 LMNA (0.62) TGM2LMNAHTTMEN1KMT2A
SCHEMBL22719492 0.79 KMT2A (0.62) TGM2LMNAMEN1KMT2ARAB9A
SCHEMBL29505028 0.79 KMT2A (0.62) TGM2LMNAMEN1KMT2ARAB9A

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
EP-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP disclosed