SCHEMBL29620920

SCHEMBL29620920

Nc1cnn(-c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
KDM4E B2RXH2 4/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
APAF1 O14727 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
PTGS1 P23219 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
GAA P10253 1/20 0.37
GCGR P47871 1/20 0.37
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL22925947 1.00 HDAC4 (0.49) HDAC4KDM4EABL1LMNAMAPT
SCHEMBL11899762 0.82 HDAC4 (0.42) HDAC4KDM4EABL1LMNAMAPT
SCHEMBL12498160 0.81 HDAC4 (0.46) HDAC4KDM4EABL1LMNAMAPT
SCHEMBL20124833 0.81 MAPT (0.47) HDAC4KDM4EABL1LMNAMAPT
SCHEMBL22925831 0.81 HDAC4 (0.49) HDAC4KDM4EABL1LMNAMAPT
SCHEMBL29620876 0.81 HDAC4 (0.49) HDAC4KDM4EABL1LMNAMAPT
SCHEMBL26422895 0.79 HDAC4 (0.46) HDAC4KDM4EABL1LMNAMAPT
SCHEMBL12818406 0.78 NOTUM (0.44) TDP1
SCHEMBL29174653 0.78 GABRB3 (0.33) HDAC4KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL27915287 0.78 KMT2A (0.51) HDAC4KDM4EABL1LMNAMAPT

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed