SCHEMBL30167009

SCHEMBL30167009

Cn1c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
HSP90AA1 P07900 2/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNMA1 Q12791 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13195012 1.00 MAPT (0.57) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL28967631 0.87 BRD4 (0.60) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL13672562 0.85 LMNA (0.53) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL9395706 0.84 GRIA1 (0.51) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7178557 0.82 MEN1 (0.56) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL21413056 0.80 HSP90AA1 (0.57) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7770174 0.80 ALDH1A1 (0.70) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7178381 0.80 ALDH1A1 (0.69) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7191032 0.78 RORA (0.50) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL12160597 0.78 ADORA3 (0.54) MEN1KMT2ACA12CA9BRD4

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-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN disclosed