SCHEMBL9839155

SCHEMBL9839155

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SLC6A3 Q01959 1/20 0.40
EPHX1 P07099 3/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL9839589 0.99 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL9838852 0.81 NFE2L2 (0.37) KMT2ASMN1; SMN2L3MBTL1SLC6A3EPHX1
SCHEMBL9838945 0.80 NFE2L2 (0.39) SMN1; SMN2L3MBTL1SLC6A3EPHX1GAA
SCHEMBL10379541 0.80 GAA (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10379312 0.79 GAA (0.51) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10378482 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10379783 0.75 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL8020427 0.74 AKR1C3 (0.49) ALDH1A1KMT2AMAPTMEN1
SCHEMBL10379521 0.74 GAA (0.54) ALDH1A1KMT2AMAPTL3MBTL1GAA
SCHEMBL9837515 0.73 ALDH1A1 (0.46) 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