SCHEMBL12973751

SCHEMBL12973751

CNc1ccc2[nH]c(N)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.50
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
NUDT1 P36639 2/20 0.48
MASP2 O00187 1/20 0.48
AOC3 Q16853 1/20 0.48
PLAU P00749 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
BACE1 P56817 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
EGFR P00533 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.38
ABL1 P00519 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19216416 0.86 PLAU (0.56) FABP6KMT2AALDH1A1MEN1NUDT1
SCHEMBL29243709 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MEN1EGFRTDP1
SCHEMBL4239810 0.79 PRKD3 (0.47) FABP6KMT2AALDH1A1MEN1NUDT1
SCHEMBL7901195 0.79 KDM4E (0.55) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL19243088 0.78 MAPT (0.56) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL14683901 0.76 HPSE (0.50) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL15457670 0.76 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL129665 0.76 FABP6 (0.60) FABP6KMT2AALDH1A1MEN1NUDT1
SCHEMBL118057 0.75 MEN1 (0.57) FABP6KMT2AALDH1A1MEN1NUDT1
SCHEMBL29449363 0.75 MEN1 (0.57) FABP6KMT2AALDH1A1MEN1NUDT1

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
WO-2010144686-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH BENZIMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2010-12-16 WO disclosed
EP-1383731-B1 BIARYL COMPOUNDS AS SERINE PROTEASE INHIBITORS BIOCRYST PHARM INC (US) 2009-08-05 EP disclosed