SCHEMBL29285993

SCHEMBL29285993

COc1ccc(CNS(=O)(=O)c2cccc(B(O)O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.63
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
GAA P10253 2/20 0.61
RECQL P46063 1/20 0.61
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
AKR1C3 P42330 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.53
NLRP3 Q96P20 1/20 0.52

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
SCHEMBL30989152 1.00 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL17101683 0.88 ALDH1A1 (0.64) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL17101738 0.86 ALDH1A1 (0.70) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL12030446 0.86 ALDH1A1 (0.70) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL29951672 0.85 KEAP1 (0.65) CYP19A1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2056065 0.85 KEAP1 (0.65) CYP19A1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1890976 0.83 CYP19A1 (0.64) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL3659182 0.82 ALDH1A1 (0.88) CYP19A1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL6102821 0.82 ALDH1A1 (0.68) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL28156680 0.79 MEN1 (0.71) CYP19A1ALDH1A1MAPTGAARECQL

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-118339145-A Bicyclic fused ring derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-12 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed