SCHEMBL4538101

SCHEMBL4538101

NNc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
AKR1C3 P42330 1/20 0.57
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
MAPK14 Q16539 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BDKRB1 P46663 2/20 0.47
POLB P06746 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL10592841 0.89 GAA (0.52) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL11226003 0.87 GAA (0.50) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL8174226 0.85 KMT2A (0.62) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL83108 0.84 ALDH1A1 (0.65) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL2885036 0.83 KMT2A (0.66) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL559678 0.83 KMT2A (0.61) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL31541257 0.83 KMT2A (0.66) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL3940689 0.82 ALDH1A1 (0.67) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL4678464 0.82 ALDH1A1 (0.67) KMT2AALDH1A1MAPTGAAAKR1C3
SCHEMBL30110412 0.81 KMT2A (0.54) KMT2AALDH1A1MAPTGAAAKR1C3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081924-A1 A LATERAL FLOW PLATFORM FOR DETECTION OF DIAGNOSTIC MARKERS UNIVERSAL SEQUENCING TECHNOLOGY CORPORATION (US) 2022-04-21 WO disclosed
WO-2009100996-A3 PROCESS FOR PREPARING PYRAZOLE FUNCTIONALIZED BENZODIAZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
WO-2009100996-A2 PROCESS FOR PREPARING PYRAZOLE FUNCTIONALIZED BENZODIAZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
WO-2009100996-A2 PROCESS FOR PREPARING PYRAZOLE FUNCTIONALIZED BENZODIAZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
US-4172835-A URINARY ANTISEPTIC, HYPOTENSIVE AGENT AND HYPOGLYCEMIC AGENT STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4172835-A URINARY ANTISEPTIC, HYPOTENSIVE AGENT AND HYPOGLYCEMIC AGENT STERLING DRUG INC. (US) 1979-10-30 US disclosed