SCHEMBL30474841

SCHEMBL30474841

COC(=O)c1ccc(Sc2ccc(F)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL25214900 1.00 MAPT (0.52) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL6575703 0.84 CA1 (0.61) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL25216649 0.83 MAPT (0.66) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL25219864 0.81 MAPT (0.56) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL14012582 0.81 CES2 (0.59) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL29664708 0.81 CES2 (0.59) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL383936 0.81 CES2 (0.59) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL31511812 0.79 TSHR (0.53) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL692907 0.78 ALDH1A1 (0.53) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL4652494 0.78 ERN1 (0.64) MAPTKMT2AMEN1MAPK1CASP3

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-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed