SCHEMBL30133235

SCHEMBL30133235

N#Cc1cncc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
METAP2 P50579 1/20 0.49
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
CYP3A4 P08684 2/20 0.44
CYP3A5 P20815 2/20 0.44
KIF11 P52732 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
XDH P47989 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL2749165 1.00 CYP1A2 (0.49) CYP1A2METAP2CYP11B1CYP11B2CYP3A4
SCHEMBL22338688 0.84 CYP1A2 (0.40) CYP1A2METAP2CYP11B1CYP11B2CYP3A4
SCHEMBL1477358 0.82 GRM5 (0.51) CYP11B1CYP11B2CYP3A4CYP3A5CHRNB2
SCHEMBL22303444 0.81 CYP11B2 (0.41) CYP1A2METAP2CYP11B1CYP11B2CYP3A4
SCHEMBL23136077 0.80 CYP1A2 (0.38) CYP1A2METAP2CYP11B1CYP11B2CYP3A4
SCHEMBL9765843 0.80 FKBP5 (0.42) CYP1A2METAP2CYP11B1CYP11B2CYP3A4
SCHEMBL20448751 0.79 CYP11B2 (0.38) CYP1A2METAP2CYP11B1CYP11B2CYP3A4
SCHEMBL9967844 0.79 KIF11 (0.44) CYP1A2METAP2CYP11B1CYP11B2KIF11
SCHEMBL16894199 0.78 KIF11 (0.62) CYP1A2METAP2CYP11B1CYP11B2CYP3A4
SCHEMBL1476263 0.78 CHRNB2 (0.57) CYP3A4CYP3A5GRIN1GRIN2BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605466-A Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司(US) 2023-01-13 CN claimed
CN-119330972-A PARP7 inhibitor and application thereof 重庆华森英诺生物科技有限公司 2025-01-21 CN disclosed
CN-115605466-B Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-11-01 CN disclosed
CN-117279917-A Piperazine derivatives and their use in medicine 成都百裕制药股份有限公司 2023-12-22 CN disclosed
CN-115605466-A Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司(US) 2023-01-13 CN disclosed