SCHEMBL11437802

SCHEMBL11437802

O=C(O)c1cc(=O)c2cc(O)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.44
CLK1 P49759 5/20 0.44
DYRK1B Q9Y463 5/20 0.44
GPR35 Q9HC97 3/20 0.43
BCL2L1 Q07817 1/20 0.43
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
TSHR P16473 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALOX15 P16050 1/20 0.40
STS P08842 1/20 0.39
ALPI P09923 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9262314 0.81 ALDH1A1 (0.46) GPR35BCL2L1ALDH1A1HPGD
SCHEMBL19953250 0.81 GPR35 (0.42) DYRK1AGPR35BCL2L1STSHPGD
SCHEMBL9578460 0.79 ALDH1A1 (0.59) DYRK1AGPR35BCL2L1ALDH1A1CA2
SCHEMBL11432426 0.77 JAK2 (0.53) AKR1B1ALDH1A1CA2CA12CA1
SCHEMBL2194399 0.77 DYRK1A (0.71) DYRK1ACLK1DYRK1BGPR35BCL2L1
SCHEMBL15697571 0.73 GPR35 (0.61) DYRK1ACLK1DYRK1BGPR35BCL2L1
SCHEMBL20593399 0.71 MAOA (0.49) DYRK1ACLK1DYRK1BALDH1A1CA2
SCHEMBL28671862 0.71 CA12 (0.44) DYRK1ACLK1DYRK1BALDH1A1CA2
SCHEMBL7574981 0.71 STS (0.56) DYRK1ACLK1DYRK1BALDH1A1CA2
SCHEMBL8208672 0.70 HTT (0.43) DYRK1ACLK1DYRK1BALDH1A1CA2

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
US-4228173-A Thiopyrano-benzopyrans, compositions and method of use thereof FISONS LIMITED (GB) 1980-10-14 US disclosed