SCHEMBL17080774

SCHEMBL17080774

COc1ccc(CNCc2ccco2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
GAA P10253 2/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ATM Q13315 1/20 0.58
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 2/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL1279329 0.84 MEN1 (0.60) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL8497081 0.83 MEN1 (0.62) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL1279081 0.82 HPGD (0.61) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL4888508 0.81 ALDH1A1 (0.69) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL121529 0.80 CHRM2 (0.70) GAAALDH1A1POLBSMN1; SMN2CHRM2
SCHEMBL29207888 0.80 MEN1 (0.71) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3423616 0.80 HPGD (0.58) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL28091649 0.80 LTA4H (0.55) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL11014192 0.79 MEN1 (0.71) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3425734 0.79 BCHE (0.71) MEN1KMT2AALDH1A1ATMMAPK1

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
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
WO-2015132427-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES WHICH ARE SELECTIVE INHIBITORS OF THE ISOFORM B OF MONOAMINE OXIDASE UNIVERSIDADE DE VIGO (ES) 2015-09-11 WO disclosed