SCHEMBL28724747

SCHEMBL28724747

CCOC(=O)c1c(C#N)c(C(F)(F)F)nn1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 2/20 0.38
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38

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
SCHEMBL2444856 0.88 L3MBTL1 (0.43) KMT2AALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL13365015 0.81 KDM4E (0.47) KMT2AALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL28724882 0.78 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL11900091 0.76 ALDH1A1 (0.42) LMNAKMT2AALDH1A1KDM4EHPGD
SCHEMBL13365021 0.76 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL5333776 0.76 RXFP1 (0.48) LMNAKMT2AALDH1A1KDM4EHPGD
SCHEMBL28724752 0.76 KDM4E (0.44) KMT2AALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL5317707 0.75 NPSR1 (0.48) LMNAKMT2AALDH1A1KDM4EHPGD
SCHEMBL2362194 0.75 KDM4E (0.41) KMT2AALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL27243156 0.74 KMT2A (0.43) KMT2AALDH1A1KDM4EHPGDL3MBTL1

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-114349703-B Trifluoromethyl-4-cyano pyrazole compound, and preparation method and application thereof 天津大学 2024-05-10 CN disclosed
CN-114349703-A Trifluoromethyl-4-cyanopyrazole compound, and preparation method and application thereof 天津大学 2022-04-15 CN disclosed