SCHEMBL8103840

SCHEMBL8103840

O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
MAPT P10636 8/20 0.70
POLB P06746 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2C9 P11712 1/20 0.66
PKM P14618 2/20 0.61
CTSB P07858 1/20 0.56
AR P10275 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 6/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
TNNI3 P19429 2/20 0.51
TNNT2 P45379 2/20 0.51
TNNC1 P63316 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL8104325 0.86 CTSB (0.59) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL939398 0.83 ALDH1A1 (0.68) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL21031716 0.81 ALDH1A1 (0.67) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL25796770 0.81 ALDH1A1 (0.67) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL8484094 0.78 ALDH1A1 (0.62) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL28038606 0.75 ALDH1A1 (0.67) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL28038246 0.75 ALDH1A1 (0.69) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL4247986 0.75 ALDH1A1 (0.58) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL23360737 0.75 ALDH1A1 (0.58) ALDH1A1MAPTPOLBCYP1A2CYP2C19
SCHEMBL1110499 0.74 GAA (0.69) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9

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-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed