SCHEMBL8999103

SCHEMBL8999103

O=C(Nc1ccccc1)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.74
▸ LMNA P02545 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ AKR1C3 P42330 1/20 0.60
▸ AKR1C1 Q04828 1/20 0.60
▸ TNFSF11 O14788 4/20 0.57
▸ TNF P01375 6/20 0.55
▸ HTR6 P50406 6/20 0.52
▸ ALOX5 P09917 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL13485750 0.86 PLK1 (0.78) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8999130 0.85 PLK1 (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL949716 0.83 LMNA (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30393652 0.83 LMNA (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL948989 0.83 AKR1C3 (0.83) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8998767 0.82 PLK1 (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4926276 0.80 LMNA (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8998784 0.80 LMNA (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2886421 0.80 KMT2A (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13797646 0.79 PLK1 (0.53) PLK1LMNASMN1; SMN2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 — — US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 — — US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 — — EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 — — WO disclosed
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