SCHEMBL8998767

SCHEMBL8998767

O=C(NCc1ccccc1)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.74
TNFSF11 O14788 3/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
TNF P01375 4/20 0.62
AKR1C3 P42330 1/20 0.57
AKR1C1 Q04828 1/20 0.57
ALOX5 P09917 2/20 0.55
PTGS2 P35354 1/20 0.55
PTPN7 P35236 1/20 0.53
CNR1 P21554 1/20 0.52
HTR6 P50406 3/20 0.51
BRD4 O60885 1/20 0.51

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
SCHEMBL27875718 0.92 PLK1 (0.67) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL12057533 0.88 PLK1 (0.61) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL13276694 0.86 PLK1 (0.59) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL13276695 0.86 PLK1 (0.59) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL8999130 0.85 PLK1 (1.00) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL1985325 0.85 PLK1 (0.58) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL1985322 0.85 PLK1 (0.58) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL13485750 0.84 PLK1 (0.78) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL23931813 0.84 PLK1 (0.59) PLK1TNFSF11LMNASMN1; SMN2MEN1
SCHEMBL15666013 0.82 PLK1 (0.57) PLK1TNFSF11LMNASMN1; SMN2MEN1

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