SCHEMBL24166609

SCHEMBL24166609

CNC(=O)Nc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 1/20 0.53
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP2C9 P11712 1/20 0.52
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
PYGL P06737 1/20 0.51
TP53 P04637 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MDH1 P40925 1/20 0.48
MDH2 P40926 1/20 0.48
CREBBP Q92793 1/20 0.48

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
SCHEMBL6266977 0.84 TP53 (0.69) KMT2AMAPTPOLBHPGDNPSR1
SCHEMBL28649485 0.84 MAPT (0.57) KMT2AMEN1MAPTPOLBCYP2C9
SCHEMBL17512399 0.83 KDM4E (0.71) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL4253087 0.83 KDM4E (0.70) KMT2AMEN1MAPTRAB9AHPGD
SCHEMBL10748020 0.83 MAPT (0.59) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL13425100 0.81 MAPT (0.58) KMT2AMEN1MAPTPOLBCYP2C9
SCHEMBL1554272 0.81 MAPT (0.54) KMT2AMEN1MAPTPOLBCYP2C9
SCHEMBL7240818 0.81 MAPT (0.54) KMT2AMEN1MAPTPOLBCYP2C9
SCHEMBL14338700 0.81 MAPT (0.68) KMT2AMEN1MAPTPOLBHPGD
SCHEMBL3044520 0.80 MAPT (0.56) KMT2AMEN1MAPTPOLBCYP2C9

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
WO-2022003712-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-01-06 WO disclosed