SCHEMBL8334656

SCHEMBL8334656

CNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 9/20 0.51
P2RX1 P51575 7/20 0.51
P2RX4 Q99571 2/20 0.51
P2RX7 Q99572 2/20 0.51
NPC1 O15118 1/20 0.49
CRHBP P24387 1/20 0.49
RAB9A P51151 1/20 0.49
CRHR2 Q13324 1/20 0.49
KIF11 P52732 6/20 0.47
SLC6A2 P23975 1/20 0.45
P2RY14 Q15391 1/20 0.45
MEN1 O00255 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
KMT2A Q03164 1/20 0.45
MYLK Q15746 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
MCL1 Q07820 1/20 0.44

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
SCHEMBL323648 0.83 KIF11 (0.48) TMPRSS4P2RX1P2RX4P2RX7KIF11
SCHEMBL330660 0.81 ACMSD (0.66) KIF11SLC6A2P2RY14MEN1KMT2A
SCHEMBL28710614 0.81 ACMSD (0.66) MCL1KDM4E
SCHEMBL8336975 0.80 CHUK (0.66) TMPRSS4P2RX1P2RX4P2RX7KIF11
SCHEMBL5927653 0.80 KIF11 (0.48) TMPRSS4P2RX1P2RX4P2RX7NPC1
SCHEMBL5428269 0.79 HDAC6 (0.56) NPC1CRHBPRAB9ACRHR2KIF11
SCHEMBL4829529 0.74 CDK2 (0.53) KDR
SCHEMBL5927052 0.74 TACR3 (0.44) TMPRSS4P2RX1P2RX4P2RX7NPC1
SCHEMBL6850836 0.74 GAA (0.61) NPC1CRHBPRAB9ACRHR2KDM4E
SCHEMBL327248 0.73 GAA (0.60) TMPRSS4P2RX1P2RX4P2RX7KIF11

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-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed