SCHEMBL29893160

SCHEMBL29893160

COc1cc(-c2ccc(C(F)(F)F)cn2)nc2cc(C(=O)O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
IDO1 P14902 1/20 0.41
CSNK2A1 P68400 4/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
KDR P35968 1/20 0.40
GCK P35557 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 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
SCHEMBL29893417 0.90 LMNA (0.47) TDO2MRGPRX4IDO1CSNK2A1KDR
SCHEMBL29892985 0.85 KDM4E (0.49) TDO2PDGFRBPDGFRAIDO1KDM4E
SCHEMBL27077390 0.83 KDM4E (0.43) MRGPRX4CSNK2A1KDM4EMEN1KMT2A
SCHEMBL27077542 0.81 HDAC4 (0.41) TDO2KDRALDH1A1LMNARAB9A
SCHEMBL29893108 0.81 HDAC4 (0.44) TDO2KDR
SCHEMBL29893225 0.80 CSNK2A1 (0.42) MRGPRX4CSNK2A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27077496 0.79 KDM4E (0.46) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL29893923 0.79 KDM4E (0.46) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL29894100 0.76 ADORA3 (0.46) TDO2IDO1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29893059 0.76 NAMPT (0.51)

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
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed