SCHEMBL20008872

SCHEMBL20008872

CC(F)(F)C(OC(=O)c1ccc(-c2ccc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)cn2)nc1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.32
P4HA1 P13674 1/20 0.32
GABRA5 P31644 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL20008871 0.85 PDCD1 (0.37) NPC1USP2MAPTTSHRRAB9A
SCHEMBL20008838 0.83 NPC1 (0.37) NPC1USP2MAPTTSHRRAB9A
SCHEMBL19961425 0.78 KMT2A (0.36) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20008836 0.77 CA1 (0.36) NPC1MAPTRAB9AKMT2A
SCHEMBL18775776 0.75 MEN1 (0.42) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL18775773 0.75 TDP1 (0.41) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL20009240 0.74 PARP10 (0.44) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL18775680 0.74 POLB (0.42) NPC1RAB9AKMT2APOLB
SCHEMBL18775869 0.73 KMT2A (0.40) NPC1MAPTRAB9AKMT2A
SCHEMBL18775747 0.73 CA12 (0.46) NPC1MAPTTSHRRAB9AKMT2A

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
US-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed