SCHEMBL28260232

SCHEMBL28260232

NC(=O)c1cc(-c2cc(Br)cc(C(F)(F)F)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.49
TMPRSS4 Q9NRS4 3/20 0.46
CLK1 P49759 2/20 0.43
DYRK1A Q13627 2/20 0.43
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 2/20 0.41
RORB Q92753 3/20 0.39
CASP1 P29466 1/20 0.39
DHODH Q02127 1/20 0.39
RORC P51449 2/20 0.38
NOTUM Q6P988 1/20 0.38
ICMT O60725 1/20 0.38
PARP1 P09874 1/20 0.38
P2RX1 P51575 2/20 0.38
KIF11 P52732 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL28260236 0.84 RXRA (0.51) CHUKTMPRSS4CLK1DYRK1ARXRA
SCHEMBL8336975 0.82 CHUK (0.66) CHUKTMPRSS4CASP1DHODHPARP1
SCHEMBL8337607 0.81 KIF11 (0.57) CHUKTMPRSS4DHODHPARP1P2RX1
SCHEMBL28195533 0.77 CHUK (0.67) CHUKCLK1DYRK1ACASP1
SCHEMBL3992190 0.76 RXRA (0.65) RXRARXRBRXRG
SCHEMBL28260233 0.75 CHUK (0.53) CHUKCLK1DYRK1AKIF11
SCHEMBL27395327 0.75 CES2 (0.52) CHUKTMPRSS4CASP1P2RX1
SCHEMBL28260235 0.74 CHUK (0.51) CHUKTMPRSS4CLK1DYRK1ARORB
SCHEMBL28217088 0.74 KIF11 (0.59) RXRARXRBRXRGNOTUMKIF11
SCHEMBL409519 0.74 CHUK (0.58) CHUKCLK1DYRK1ACASP1DHODH

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
CN-109512805-A For treating the compound of the disease of aquaporin mediation 埃罗米克斯公司 2019-03-26 CN disclosed
CN-104602682-B Compounds for the treatment of aquaporin mediated diseases 埃罗米克斯公司 2018-12-14 CN disclosed