SCHEMBL7825110

SCHEMBL7825110

CC(C)(C)c1ccc(S(=O)(=O)O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.57
▸ NAPRT Q6XQN6 1/20 0.44
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ GCKR Q14397 1/20 0.36
▸ SNCA P37840 1/20 0.35
▸ UQCRB P14927 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL12091515 0.81 ENPP2 (0.41) ALDH1A1SMN1; SMN2LOXL2
SCHEMBL3701877 0.79 KDM4E (0.57) KDM4ENAPRTLMNAALDH1A1SMN1; SMN2
SCHEMBL18379351 0.79 CA2 (0.50) TDP1TSHR
SCHEMBL8438731 0.78 KDM4E (0.65) KDM4ENAPRTLMNAALDH1A1SMN1; SMN2
SCHEMBL5077872 0.78 KDM4E (0.55) KDM4ENAPRTLMNAALDH1A1SMN1; SMN2
SCHEMBL22068923 0.78 GAA (0.44) KDM4ELMNAALDH1A1TDP1MAPT
Hydrochloric Acid SCHEMBL27930121 0.78 KDM4E (0.55) KDM4ENAPRTLMNAALDH1A1SMN1; SMN2
SCHEMBL3162360 0.77 KDM4E (0.59) KDM4ENAPRTLMNAALDH1A1SMN1; SMN2
SCHEMBL12313525 0.76 CCR1 (0.61) KDM4ENAPRTLMNAALDH1A1SMN1; SMN2
SCHEMBL17688866 0.76 HSD17B10 (0.49) KDM4ELMNAALDH1A1SMN1; SMN2TDP1

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
Send feedback