SCHEMBL30510073

SCHEMBL30510073

N#Cc1ccc(-c2ccc(F)cc2)cc1-c1ccn(C(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
TGFBR1 P36897 2/20 0.38
AR P10275 2/20 0.37
NR3C1 P04150 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PGR P06401 1/20 0.35
CSNK2A1 P68400 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
JAK2 O60674 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
SCHEMBL25379234 1.00 CYP11B1 (0.43) CYP11B1CYP11B2TGFBR1ARNR3C1
SCHEMBL26193080 0.85 CSNK2A1 (0.39) CYP11B1CYP11B2TGFBR1ARNR3C1
SCHEMBL26199143 0.83 SCN4A (0.48) CYP11B1CYP11B2ARNR3C1MEN1
SCHEMBL26193069 0.81 TGFBR1 (0.37) CYP11B1CYP11B2TGFBR1NR3C1CYP1A2
SCHEMBL30510213 0.81 CYP11B1 (0.42) CYP11B1CYP11B2ARNR3C1MEN1
SCHEMBL25378392 0.81 CYP11B1 (0.42) CYP11B1CYP11B2ARNR3C1MEN1
SCHEMBL30510067 0.79 MEN1 (0.46) CYP11B1CYP11B2TGFBR1ARMEN1
SCHEMBL25255928 0.79 MEN1 (0.46) CYP11B1CYP11B2TGFBR1ARMEN1
SCHEMBL25295233 0.78 AR (0.41) CYP11B1CYP11B2ARNR3C1KDM4E
SCHEMBL30510117 0.78 TGFBR1 (0.43) CYP11B1CYP11B2TGFBR1CYP1A2PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452253-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-10-30 EP disclosed
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed