SCHEMBL29537282

SCHEMBL29537282

NC(=O)c1cc(C(F)(F)F)c[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
PARP1 P09874 4/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.37
CES2 O00748 2/20 0.37
DYRK1A Q13627 1/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SYK P43405 1/20 0.34
DAO P14920 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
SCHEMBL20264635 0.84 DYRK1A (0.55) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL27955921 0.83 DYRK1A (0.37) KMT2AMEN1ALDH1A1HPGDPARP1
SCHEMBL4048366 0.82 L3MBTL1 (0.39) KMT2AMEN1ALDH1A1PARP1DYRK1A
SCHEMBL11165545 0.78 PARP1 (0.53) PARP1KDM4E
SCHEMBL1970017 0.76 HTT (0.45) KMT2AMEN1ALDH1A1CES2SMN1; SMN2
SCHEMBL574325 0.73 TTK (0.44) KMT2AMEN1ALDH1A1HPGDPARP1
SCHEMBL18696150 0.73 CDC7 (0.43) KMT2AMEN1ALDH1A1PARP1CYP1A2
SCHEMBL1000301 0.73 DAO (0.50) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL16918372 0.72 DAO (0.53) ALDH1A1PARP1DYRK1AATMKDM4E
SCHEMBL21086635 0.72 DYRK1A (0.40) ALDH1A1PARP1DYRK1AATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed