SCHEMBL30567828

SCHEMBL30567828

COc1ccc(-c2cnc(CSc3nccc(C)n3)o2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
USP2 O75604 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 7/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMO O15229 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL27218802 0.86 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL31494353 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL27218795 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL29807971 0.82 NOTUM (0.50) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL27218831 0.82 ADORA2A (0.40) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL31494398 0.82 ADORA2A (0.40) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL29807952 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL29807903 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL29808327 0.80 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1USP2HPGDKMT2A
SCHEMBL31494377 0.79 ADORA2A (0.39) SMN1; SMN2ALDH1A1USP2HPGDKMT2A

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-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed