SCHEMBL24749741

SCHEMBL24749741

COc1cc(N)cc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
BRCA1 P38398 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.51
LIPE Q05469 5/20 0.50
HPGD P15428 1/20 0.49
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 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
SCHEMBL31694827 1.00 MAPK1 (0.56) MAPK1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL31360509 0.86 THRB (0.61) MAPK1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL31694814 0.84 THRB (0.52) MAPK1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL24749780 0.84 THRB (0.52) MAPK1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL24749781 0.83 L3MBTL1 (0.53) MAPK1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL31694876 0.83 L3MBTL1 (0.53) MAPK1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL6531818 0.83 MAPK1 (0.75) MAPK1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL10387449 0.82 LMNA (0.68) MAPK1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL31009451 0.81 MAPT (0.67) MAPK1TSHRSMN1; SMN2LMNATHRB
SCHEMBL20554691 0.80 THRB (0.53) MAPK1TSHRSMN1; SMN2KDM4EKMT2A

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-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed