SCHEMBL27911279

SCHEMBL27911279

CC(=O)Oc1ccc(NCC(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CXCR2 P25025 4/20 0.38
▸ CXCR1 P25024 3/20 0.38
▸ LMNA P02545 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ PABPC1 P11940 2/20 0.36
▸ ACACB O00763 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GABRA5 P31644 1/20 0.35

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
SCHEMBL27787981 0.79 KMT2A (0.40) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL795541 0.77 MAPK1 (0.51) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL28028552 0.75 L3MBTL1 (0.50) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL12985792 0.74 ALDH1A1 (0.39) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL797424 0.74 P4HTM (0.60) KDM4EL3MBTL1ALDH1A1
SCHEMBL27906089 0.73 LMNA (0.54) KDM4EKMT2ALMNARAB9AALDH1A1
SCHEMBL27801772 0.73 ALDH1A1 (0.41) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL18698969 0.73 HDAC1 (0.43) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL27911280 0.72 TYK2 (0.38) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL27911352 0.71 LMNA (0.42) KDM4EMEN1KMT2AL3MBTL1NPC1

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
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 — — CN disclosed
Send feedback