SCHEMBL9837515

SCHEMBL9837515

CC(F)(C(=O)CC1CCCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX1 P07099 2/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9838824 0.99 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL9838727 0.81 NFE2L2 (0.38) KMT2AHSD11B1
SCHEMBL9837560 0.80 NFE2L2 (0.40) SMN1; SMN2HSD11B1POLBEPHX1GAA
SCHEMBL9839155 0.73 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL9837554 0.72 HSD11B1 (0.51) ALDH1A1MAPTHSD11B1POLBKDM4E
SCHEMBL9839589 0.72 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL10379541 0.70 GAA (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL3704915 0.70 KMT2A (0.66) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL10379312 0.69 GAA (0.51) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL26218753 0.69 MAPT (0.47) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276122-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-07 EP disclosed
US-4847295-A ANTITUMOR AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-07-11 US disclosed
EP-0276122-A2 Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-27 EP disclosed