SCHEMBL25405482

SCHEMBL25405482

CC(=O)c1cc(C(F)(F)F)cc(Br)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
CES2 O00748 2/20 0.38
SOS1 Q07889 1/20 0.38
TMPRSS4 Q9NRS4 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAPT P10636 2/20 0.35
P2RX1 P51575 3/20 0.35
PTPN5 P54829 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TACR1 P25103 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9465049 0.84 TAS2R14 (0.43) NOTUMCES2AKR1C3AKR1C2RXRA
SCHEMBL31697325 0.84 TAS2R14 (0.43) NOTUMCES2AKR1C3AKR1C2RXRA
SCHEMBL9465091 0.82 DGAT1 (0.41) NOTUMCES2SOS1TMPRSS4SMN1; SMN2
SCHEMBL23887001 0.82 HTT (0.46) NOTUMCES2TMPRSS4SMN1; SMN2AKR1C3
SCHEMBL18299626 0.81 P2RX1 (0.44) CES2TMPRSS4AKR1C3AKR1C2MAPT
SCHEMBL5224905 0.81 SOS1 (0.55) NOTUMCES2SOS1TMPRSS4MAPT
SCHEMBL31396446 0.79 NOTUM (0.41) NOTUMCES2SOS1RXFP1RXRA
SCHEMBL18243875 0.79 DDR1 (0.45) CES2TMPRSS4SMN1; SMN2MAPTP2RX1
SCHEMBL23326539 0.78 PTPN5 (0.51) TMPRSS4AKR1C3AKR1C2MAPTP2RX1
SCHEMBL25406281 0.78 MLYCD (0.41) NOTUMCES2SOS1P2RX1TACR1

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
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed