SCHEMBL29512871

SCHEMBL29512871

Nc1ccc(C(=O)Nc2ccc(C(=O)O)c(N)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
PKM P14618 2/20 0.64
POLB P06746 2/20 0.64
MEN1 O00255 2/20 0.64
LMNA P02545 2/20 0.64
APEX1 P27695 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PTGS1 P23219 2/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 2/20 0.50
SNCA P37840 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
PYGL P06737 1/20 0.49
BRAF P15056 1/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL28307209 0.90 KMT2A (0.54) KMT2APKMPOLBMEN1LMNA
SCHEMBL11776642 0.89 KMT2A (0.69) KMT2APKMPOLBMEN1TDP1
SCHEMBL1953859 0.88 KMT2A (0.64) KMT2APKMPOLBMEN1LMNA
SCHEMBL10916423 0.80 BCAT2 (0.57) KMT2APKMPOLBMEN1LMNA
SCHEMBL7877076 0.80 POLB (0.85) KMT2APKMPOLBMEN1LMNA
SCHEMBL17795755 0.80 POLB (0.85) KMT2APKMPOLBMEN1LMNA
SCHEMBL3277058 0.80 POLB (0.85) KMT2APKMPOLBMEN1LMNA
Bicarbonate SCHEMBL11209083 0.79 POLB (0.92) KMT2APKMPOLBMEN1LMNA
SCHEMBL11485725 0.79 HDAC2 (0.58) KMT2APKMPOLBMEN1LMNA
SCHEMBL14972591 0.79 MEN1 (0.66) KMT2APKMPOLBMEN1LMNA

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
CN-115286291-A Fine-grain high-performance recycled asphalt concrete easy to construct 福建省鑫海湾建材科技有限公司 2022-11-04 CN disclosed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed