SCHEMBL3190404

SCHEMBL3190404

CN(C)c1cccc2c(S(=O)(=O)N3CCSC3c3cccnc3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
EDNRA P25101 3/20 0.43
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
POLB P06746 1/20 0.38
NSD2 O96028 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL30914450 1.00 KMT2A (0.48) KMT2AATMEDNRACA2ALDH1A1
SCHEMBL9787602 0.70 ALDH1A1 (0.60) ALDH1A1TSHRKDM4ELMNARECQL
SCHEMBL9544951 0.69 LMNA (0.69) KMT2AALDH1A1TSHRKDM4ELMNA
SCHEMBL25531 0.69 KMT2A (0.88) KMT2AATMEDNRACA2F2
SCHEMBL29437927 0.69 KMT2A (0.88) KMT2AATMEDNRACA2F2
SCHEMBL5743956 0.66 KMT2A (0.60) KMT2AATMTSHRKDM4EHTT
SCHEMBL5743967 0.66 KMT2A (0.60) KMT2AATMTSHRKDM4EHTT
SCHEMBL31363195 0.66 KMT2A (0.60) KMT2AATMTSHRKDM4EHTT
SCHEMBL23630459 0.65 KMT2A (0.55) KMT2AATMCA2F2PRSS1
SCHEMBL8366178 0.65 KMT2A (0.55) KMT2AATMCA2F2PRSS1

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-7662361-B2 Methods and compositions for modulating drug activity through telomere damage AU JESSIE L-S 2010-02-16 US disclosed
US-20060128651-A1 Methods and compositions for modulating drug activity through telomere damage AU JESSIE L 2006-06-15 US disclosed
US-6995145-B1 Methods and compositions for modulating drug activity through telomere damage AU JESSIE L-S 2006-02-07 US disclosed
WO-2000074667-A2 COMPOSITIONS ACTIVE IN TELOMERE DAMAGE COMPRISING A TAXANE AND TELOMERASE INHIBITOR AU JESSIE L S (US) 2000-12-14 WO disclosed