SCHEMBL7294874

SCHEMBL7294874

O=[C]OC(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR2A P28223 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP19A1 P11511 2/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL3861174 1.00 IDO1 (0.43) IDO1MEN1KMT2APOLBMAPT
SCHEMBL10569475 0.88 MAPT (0.45) IDO1KMT2APOLBMAPTALDH1A1
SCHEMBL8716890 0.88 RAB9A (0.47) IDO1MAPTALDH1A1RAB9AHTT
SCHEMBL5481199 0.88 RAB9A (0.49) IDO1KMT2AMAPTHTR2ARAB9A
SCHEMBL9050930 0.86 MEN1 (0.43) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL4438089 0.86 GAA (0.53) MEN1KMT2AMAPTALDH1A1HTR2A
SCHEMBL7278760 0.86 GAA (0.53) MEN1KMT2AMAPTALDH1A1HTR2A
SCHEMBL7382040 0.85 MAPT (0.48) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1413274 0.82 FABP7 (0.44) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL5484162 0.81 ALDH1A1 (0.49) IDO1MEN1KMT2APOLBMAPT

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-0468448-B1 Analogs of hirudin having antiplatelet activity MERRELL PHARMA INC (US) 1996-06-12 EP disclosed