SCHEMBL28889281

SCHEMBL28889281

CNC(=O)NC(=O)C(c1cc(C(F)(F)F)ccn1)c1ccccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADRB2 P07550 1/20 0.40
P2RY1 P47900 1/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
RIOK2 Q9BVS4 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KCNJ6 P48051 2/20 0.35
KCNJ5 P48544 2/20 0.35
KCNJ3 P48549 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TRPV3 Q8NET8 1/20 0.34
KCNN4 O15554 1/20 0.34
MAT2A P31153 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL29942331 0.89 ADRB2 (0.38) KMT2AADRB2P2RY1LMNAPOLB
SCHEMBL28889178 0.89 HDAC4 (0.43) KMT2AMEN1ADRB2P2RY1LMNA
SCHEMBL28889187 0.89 MEN1 (0.40) KMT2AMEN1ADRB2LMNAPOLB
SCHEMBL28889319 0.88 ADRB2 (0.41) KMT2AMEN1ADRB2ALDH1A1MAPT
SCHEMBL28889382 0.86 ADRB2 (0.39) KMT2AMEN1ADRB2P2RY1LMNA
SCHEMBL29941697 0.85 MEN1 (0.49) KMT2AMEN1ADRB2POLBALDH1A1
SCHEMBL28959159 0.84 ADRB2 (0.38) KMT2AADRB2P2RY1LMNAPOLB
SCHEMBL28889349 0.83 P2RY1 (0.41) KMT2AMEN1ADRB2P2RY1LMNA
SCHEMBL28889367 0.82 ADRB2 (0.41) ADRB2RIOK2ALDH1A1TRPV3KCNN4
SCHEMBL28889179 0.81 KMT2A (0.41) KMT2AMEN1ADRB2P2RY1LMNA

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-2022222911-A1 PYRIMIDONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-27 WO disclosed
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed