SCHEMBL29020102

SCHEMBL29020102

COc1ccc2cc(C(=O)O)sc2c1.[KH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CLK1 P49759 5/20 0.51
DYRK1A Q13627 3/20 0.51
CA2 P00918 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
CHRNA7 P36544 3/20 0.49
GLA P06280 1/20 0.49
HDAC1 Q13547 2/20 0.49
GPR35 Q9HC97 1/20 0.49
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL914782 0.98 BCL2L1 (0.54) BCL2L1KDM4ECLK1DYRK1ACA2
SCHEMBL31207841 0.87 HDAC1 (0.56) KDM4ECLK1DYRK1ACA2DYRK1B
SCHEMBL1098993 0.87 HDAC1 (0.56) KDM4ECLK1DYRK1ACA2DYRK1B
SCHEMBL1867721 0.85 CLK1 (0.68) BCL2L1CLK1DYRK1ADYRK1B
Potassium Ion SCHEMBL25233840 0.83 CLK1 (0.50) KDM4ECLK1DYRK1ACA2DYRK1B
SCHEMBL17858432 0.83 BCL2L1 (0.51) BCL2L1CA2CHRNA7HDAC1GPR35
SCHEMBL15697600 0.82 MRGPRX4 (0.57) CLK1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL2896304 0.81 CHRNA7 (0.51) BCL2L1KDM4ECA2CHRNA7GPR35
SCHEMBL31463236 0.81 STING1 (0.67) CLK1DYRK1ACA2DYRK1BCYP1A2
SCHEMBL30298109 0.80 CLK1 (0.48) KDM4ECLK1DYRK1ACA2DYRK1B

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-116283897-A Compound and application of compound in solar cell 西安隆基乐叶光伏科技有限公司 2023-06-23 CN disclosed