SCHEMBL10683147

SCHEMBL10683147

Nc1ccc(S(=O)(=O)c2ccc3c(O)cccc3c2O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.71
HTR6 P50406 4/20 0.53
CDK2 P24941 1/20 0.47
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
LDHA P00338 1/20 0.44
NR4A1 P22736 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
PLAU P00749 1/20 0.40
CA12 O43570 1/20 0.39
USP2 O75604 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 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
SCHEMBL8003877 0.74 HTR6 (0.54) HKDC1HTR6TSHRLMNAMPO
SCHEMBL7865326 0.72 HKDC1 (0.57) HKDC1HTR6TSHRLMNAMPO
SCHEMBL4593546 0.69 LDHA (0.59) HKDC1HTR6CDK2LDHACA12
SCHEMBL9717678 0.69 HKDC1 (0.77) HKDC1HTR6LMNACYP2C9LDHA
SCHEMBL8074354 0.69 AURKA (0.58) HKDC1CDK2LDHANR4A1AURKA
SCHEMBL10775871 0.69 HTR6 (1.00) HKDC1HTR6TSHRLMNAMPO
SCHEMBL3790370 0.68 HTR6 (0.69) HKDC1HTR6TSHRLMNAMPO
SCHEMBL17774545 0.68 HKDC1 (0.57) HKDC1HTR6TSHRLMNAMPO
SCHEMBL10693393 0.68 LDHA (0.63) HKDC1HTR6CDK2LDHATDP1
SCHEMBL2118350 0.67 ALDH1A1 (0.55) HKDC1HTR6TSHRLMNAMPO

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-4758495-A Diazo microcapsule recording material prepared using ion exchange treatment FUJI PHOTO FILM CO., LTD. (JP) 1988-07-19 US disclosed