SCHEMBL15313832

SCHEMBL15313832

O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(O)c(O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.63
P2RX1 P51575 2/20 0.56
PRMT1 Q99873 2/20 0.56
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
AVPR2 P30518 1/20 0.51
GPR27 Q9NS67 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
BCL2 P10415 1/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PIK3CA P42336 1/20 0.49
ALOX15 P16050 1/20 0.48
KLKB1 P03952 1/20 0.48
NAMPT P43490 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
SCHEMBL15313831 0.88 GPR27 (0.61) P2RX1AVPR2GPR27GAAKMT2A
SCHEMBL15313812 0.83 BCL2L1 (0.68) BCL2L1CA12CA1CA2CA9
SCHEMBL6930179 0.78 P2RX1 (0.64) P2RX1ALDH1A1LMNAGAAKMT2A
SCHEMBL15313813 0.76 TERT (0.58) P2RX1PRMT1CA12CA1CA2
SCHEMBL18027773 0.74 NPC1 (0.63) LMNAPOLBKMT2AMEN1ALOX15
SCHEMBL18993422 0.74 TERT (0.51) P2RX1LMNAPOLBKMT2AMEN1
SCHEMBL9051568 0.74 MEN1 (0.65) ALDH1A1LMNAPOLBBCL2KMT2A
SCHEMBL24460168 0.73 ALDH1A1 (0.80) P2RX1CA12CA1CA2CA9
SCHEMBL12189486 0.73 GPR27 (0.59) BCL2L1PRMT1AVPR2GPR27ALDH1A1
SCHEMBL2169619 0.72 P2RX1 (1.00) P2RX1KMT2AMEN1

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