SCHEMBL15313831

SCHEMBL15313831

O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(O)c(O)c1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 12/20 0.61
AVPR2 P30518 3/20 0.61
TUBB P07437 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CES1 P23141 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLC10A2 Q12908 1/20 0.55
SLC10A1 Q14973 1/20 0.55
SLC10A6 Q3KNW5 1/20 0.55
KDM4E B2RXH2 1/20 0.54
P2RX1 P51575 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL15313832 0.88 BCL2L1 (0.63) GPR27AVPR2MEN1KMT2AP2RX1
SCHEMBL15313830 0.80 GPR27 (0.61) GPR27AVPR2MEN1KMT2A
SCHEMBL15313834 0.77 ALOX12 (0.54) GPR27AVPR2KMT2A
SCHEMBL15313835 0.76 CA12 (0.51) GPR27AVPR2MEN1KMT2AKDM4E
SCHEMBL2474197 0.75 CES1 (1.00) MEN1KMT2ACES1TDP1GAA
SCHEMBL6554630 0.75 CES1 (1.00) MEN1KMT2ACES1TDP1GAA
SCHEMBL6930179 0.75 P2RX1 (0.64) KMT2AP2RX1GAA
SCHEMBL6754585 0.75 SLC10A6 (0.81) GPR27AVPR2MEN1KMT2ASLC10A2
SCHEMBL17593181 0.75 KMT2A (0.92) GPR27AVPR2MEN1KMT2ATDP1
SCHEMBL27180609 0.74 GPR27 (0.78) GPR27AVPR2MEN1KMT2A

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
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed