SCHEMBL8364249

SCHEMBL8364249

COC(=O)c1ccc(CN(C2CCCN(C(=O)CSC)C2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
HDAC6 Q9UBN7 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
RORC P51449 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
CACNA1B Q00975 1/20 0.40
BMP1 P13497 1/20 0.40

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
SCHEMBL8364244 0.91 HDAC6 (0.44) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8364401 0.90 HDAC6 (0.44) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8364256 0.90 HDAC6 (0.46) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8361728 0.90 RORC (0.51) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8361739 0.89 HDAC6 (0.46) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8364250 0.89 KMT2A (0.47) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8363852 0.88 ALOX15 (0.47) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8364382 0.88 CNR1 (0.49) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8361730 0.87 RORC (0.46) CNR1HDAC6MEN1KMT2AHDAC8
SCHEMBL8363828 0.87 HDAC6 (0.44) CNR1HDAC6MEN1KMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003013527-A1 SULFONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-02-20 WO disclosed