SCHEMBL8772960

SCHEMBL8772960

CC(C)(C)c1ccc([N+](=O)[O-])cc1.CC(C)(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
LMNA P02545 4/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
KMT2A Q03164 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTPRC P08575 1/20 0.56
TSHR P16473 3/20 0.53
ACHE P22303 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
NPBWR1 P48145 1/20 0.48
CYP19A1 P11511 1/20 0.47

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
SCHEMBL179286 0.93 PTPRC (0.63) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL31496742 0.93 PTPRC (0.63) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL397351 0.85 HSD17B10 (0.56) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL2608412 0.83 KEAP1 (0.59) ALDH1A1LMNANPC1MAPTRAB9A
Propionaldehyde SCHEMBL28841522 0.82 PTPRC (0.52) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL9734076 0.82 PTPRC (0.63) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL30469256 0.81 MAPT (0.56) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL1622291 0.81 MAPT (0.56) ALDH1A1LMNANPC1MAPTRAB9A
Dinitrophenylene SCHEMBL27516554 0.81 ALDH1A1 (0.59) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL28841521 0.81 PTPRC (0.55) ALDH1A1LMNANPC1MAPTRAB9A

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
EP-0635483-B1 Process for preparing nitroaniline derivatives SUMITOMO CHEMICAL CO (JP) 1997-10-22 EP disclosed
EP-0635483-A1 Process for preparing nitroaniline derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-25 EP disclosed