SCHEMBL8484094

SCHEMBL8484094

O=[N+]([O-])c1ccc(N2CCCCC2)c(F)c1CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
MAPT P10636 7/20 0.62
POLB P06746 4/20 0.51
PKM P14618 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
GAA P10253 3/20 0.50
CTSB P07858 1/20 0.50
AR P10275 1/20 0.50
MAPK1 P28482 7/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL25796770 0.78 ALDH1A1 (0.67) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL21031716 0.78 ALDH1A1 (0.67) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL8103840 0.78 ALDH1A1 (0.70) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL939398 0.77 ALDH1A1 (0.68) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL23360737 0.75 ALDH1A1 (0.58) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL28418776 0.74 MAPT (0.50) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL23360716 0.74 ALDH1A1 (0.56) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL5236640 0.72 MAPK1 (0.64) ALDH1A1MAPTPKMCYP1A2CYP2C19
SCHEMBL1110499 0.72 GAA (0.69) ALDH1A1MAPTPKMCYP1A2CYP2C19
SCHEMBL22094803 0.72 ALDH1A1 (0.68) ALDH1A1MAPTPOLBCYP1A2CYP2C19

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
US-5955460-A EFFECTIVE AGAINST INFECTIONS CAUSED BY ANTIBIOTIC RESISTANT BACTERIA PHARMACIA & UPJOHN COMPANY (US) 1999-09-21 US disclosed
US-5922707-A Oxazolidinone antibacterial agent with tricyclic substituents PHARMACIA & UPJOHN COMPANY (US) 1999-07-13 US disclosed