SCHEMBL8601035

SCHEMBL8601035

CCC(NC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cn3C)nc2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
IKBKB O14920 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.38
PIN1 Q13526 2/20 0.38
NPBWR1 P48145 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
FNTA P49354 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
SCHEMBL5333969 0.83 CHEK2 (0.47) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL7471355 0.81 MAPT (0.43) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL5559865 0.80 MEN1 (0.47) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL7473157 0.79 MAPT (0.43) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL7470258 0.78 HPGD (0.46) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL7465939 0.78 MAPT (0.43) KMT2AMEN1MAPTPOLBNPC1
Hydrochloric Acid SCHEMBL7462715 0.78 MAPT (0.42) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL7477278 0.77 MAPT (0.42) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL7462181 0.76 ALDH1A1 (0.51) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL7468134 0.76 MAPT (0.49) KMT2AMEN1MAPTPOLBNPC1

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
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed