SCHEMBL9388019

SCHEMBL9388019

O=[N+]([O-])c1cnccc1NCc1ccc(CO)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.41
MIF P14174 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CYP2A6 P11509 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7498054 0.84 ALDH1A1 (0.44) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL9540982 0.81 MAPT (0.52) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL9387160 0.77 CYP2A6 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8248608 0.76 ALDH1A1 (0.54) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL9543716 0.74 PKM (0.58) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL8664733 0.74 ALDH1A1 (0.62) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL8884838 0.74 ALDH1A1 (0.51) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL28570276 0.73 ALDH1A1 (0.56) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL2337025 0.73 ALDH1A1 (0.56) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL10388574 0.73 GSTM2 (0.54) ALDH1A1HTTRAB9AMAPTMEN1

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-0393738-B1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA NV (BE) 1994-11-30 EP disclosed
US-5272150-A Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-21 US disclosed
EP-0393738-A1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-24 EP disclosed