SCHEMBL27911280

SCHEMBL27911280

O=C(O)Cc1ccc(NCC(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ RORC P51449 2/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ AGBL2 Q5U5Z8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ AR P10275 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 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
SCHEMBL797424 0.78 P4HTM (0.60) P4HTML3MBTL1KDM4E
SCHEMBL3981152 0.76 PTGDR2 (0.47) L3MBTL1KDM4EPOLBKMT2APTGDR2
SCHEMBL27787982 0.76 MAPT (0.40) TYK2P4HTMRORCKMT2APTGDR2
SCHEMBL9275881 0.74 SYK (0.38) TYK2P4HTMPTGDR2
SCHEMBL29535595 0.73 AGBL2 (0.47) TYK2P4HTMAGBL2KDM4EPTGDR2
SCHEMBL12984381 0.73 AGBL2 (0.47) TYK2P4HTMAGBL2KDM4EPTGDR2
SCHEMBL19555418 0.72 KMT2A (0.54) AGBL2KDM4EPOLBKMT2ALMNA
SCHEMBL795541 0.72 MAPK1 (0.51) P4HTML3MBTL1KDM4EPOLBKMT2A
SCHEMBL27911279 0.72 KDM4E (0.40) L3MBTL1KDM4EPOLBKMT2ACXCR2
Hydrochloric Acid SCHEMBL6012017 0.71 KMT2A (0.53) AGBL2KDM4EPOLBKMT2ALMNA

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
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