SCHEMBL3984010

SCHEMBL3984010

Cc1ccc(C(F)C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2A6 P11509 1/20 0.42
GAA P10253 1/20 0.41
ACHE P22303 3/20 0.38
MAPT P10636 3/20 0.36
ALOX5 P09917 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HTT P42858 2/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL7958219 0.78 LMNA (0.47) ALDH1A1TDP1LMNASMN1; SMN2ACHE
SCHEMBL27672496 0.76 CHRNA7 (0.44) CHRNA7ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL27961334 0.76 CYP2A6 (0.38) ALDH1A1SMN1; SMN2CYP2A6GAAMAPT
SCHEMBL444030 0.76 TSHR (0.46) ALDH1A1TDP1LMNASMN1; SMN2CYP2A6
SCHEMBL19946014 0.76 ESR1 (0.60) ALDH1A1TDP1LMNASMN1; SMN2ACHE
SCHEMBL3278040 0.75 ALDH1A1 (0.46) CHRNA7ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL1323137 0.75 TSHR (0.52) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL10159567 0.75 TSHR (0.52) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL8035378 0.75 ALDH1A1 (0.59) CHRNA7ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL10566319 0.74 ALDH1A1 (0.46) ALDH1A1GAAACHEMAPTESR1

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-2009061881-A1 SPIRODIHYDROBENZOFURANS AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 WO disclosed