SCHEMBL31069442

SCHEMBL31069442

CCOC(=O)c1cc2cc(C#N)ccc2n1CCCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.52
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CNR1 P21554 14/20 0.43
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7488753 0.83 MAPT (0.56) NTRK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL14605045 0.82 NTRK1 (0.79) NTRK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL7491576 0.80 MAPT (0.51) NTRK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL15908733 0.76 MAPT (0.47) NTRK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL22939156 0.74 TSHR (0.47) NTRK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL7485099 0.74 MAPT (0.56) MAPTTDP1SMN1; SMN2LMNATSHR
SCHEMBL21822502 0.73 MAPT (0.50) NTRK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL15649531 0.73 KDM4E (0.46) MAPTTDP1SMN1; SMN2LMNATSHR
SCHEMBL2428965 0.73 MEN1 (0.46) MAPTSMN1; SMN2LMNATSHRKDM4E
SCHEMBL327634 0.73 MAPT (0.51) MAPTTDP1SMN1; SMN2LMNATSHR

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
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO disclosed