SCHEMBL31337347

SCHEMBL31337347

CCc1cc(C)ccc1S(=O)(=O)Oc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.37
F2 P00734 2/20 0.37
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10995940 0.80 LMNA (0.44) MAPTL3MBTL1HPGDSMN1; SMN2TSHR
SCHEMBL21590192 0.77 LMNA (0.45) L3MBTL1SMN1; SMN2TSHRCASP1CASP7
SCHEMBL31235679 0.74 LMNA (0.56) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL8132928 0.74 LMNA (0.56) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL21388018 0.74 TSHR (0.41) MAPTL3MBTL1SMN1; SMN2TSHRCASP1
SCHEMBL29624394 0.74 TSHR (0.41) MAPTL3MBTL1SMN1; SMN2TSHRCASP1
SCHEMBL15018736 0.72 RAPGEF4 (0.38) MAPTL3MBTL1SMN1; SMN2TSHRCASP1
SCHEMBL28823865 0.72 RAPGEF4 (0.38) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL28092304 0.72 TDP1 (0.38) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL2656784 0.71 RAPGEF4 (0.37) MAPTL3MBTL1SMN1; SMN2TSHRCASP1

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-119552171-A Macrocyclic pyrazolopyrimidine compound and application thereof 浙江养生堂天然药物研究所有限公司 2025-03-04 CN disclosed