SCHEMBL29183237

SCHEMBL29183237

Cc1cc(OC(F)C(F)F)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CHRNA3 P32297 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL5733721 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HAO1MAPTNPC1RAB9A
SCHEMBL16481265 0.80 ALDH1A1 (0.46) SMN1; SMN2HAO1MAPTNPC1RAB9A
SCHEMBL3480424 0.79 TDP1 (0.37) SMN1; SMN2MAPTRAB9ALMNATSHR
SCHEMBL21835728 0.75 SMN1; SMN2 (0.39) SMN1; SMN2HAO1MAPTNPC1RAB9A
SCHEMBL27454977 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HAO1MAPTNPC1RAB9A
SCHEMBL6466375 0.72 DRD1 (0.37) MAPTNPC1RAB9ALMNAALOX15
SCHEMBL9860015 0.71 SRD5A2 (0.45) SMN1; SMN2HAO1MAPTNPC1RAB9A
SCHEMBL30294336 0.71 MAPT (0.54) SMN1; SMN2HAO1MAPTNPC1RAB9A
SCHEMBL838442 0.71 MAPT (0.54) SMN1; SMN2HAO1MAPTNPC1RAB9A
SCHEMBL28384768 0.71 LDHA (0.47) MAPTRAB9ALMNAALOX15MAPK1

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-117597341-A Sulfonamide derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-02-23 CN disclosed