SCHEMBL16660774

SCHEMBL16660774

CSCc1nc2cc(C(N)=O)ccc2nc1CS

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
DPP4 P27487 1/20 0.37
AR P10275 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
DYRK1A Q13627 1/20 0.36
ACSS2 Q9NR19 1/20 0.36

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
SCHEMBL23838607 0.93 KMT2A (0.54) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL16730658 0.88 MAPT (0.49) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL16644147 0.80 NPC1 (0.55) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL16644172 0.77 NQO2 (0.46) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL16646641 0.75 ALDH1A1 (0.47) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL30645370 0.73 KMT2A (0.50) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL16646581 0.73 KMT2A (0.50) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL24541019 0.73 NPC1 (0.50) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL19622430 0.71 TDP1 (0.70) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL23838593 0.70 NPC1 (0.46) KMT2ANPC1MEN1RAB9ATDP1

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-2015057876-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC. (US) 2015-04-23 WO disclosed