SCHEMBL31323972

SCHEMBL31323972

CCn1cc(C(=O)O)c2cc(C(=O)NO)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
ENPP2 Q13822 6/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR4A2 P43354 1/20 0.44
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 3/20 0.43
PLA2G4A P47712 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL31323947 0.81 LMNA (0.64) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1991870 0.79 HDAC6 (0.63) LMNAHDAC6HDAC1HDAC2HDAC8
SCHEMBL12485058 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL12485447 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL12485507 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL21999705 0.76 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL27679944 0.76 SLC22A12 (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL12486165 0.75 KDM4E (0.82) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL27693950 0.74 LMNA (0.73) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL23368395 0.74 RAB9A (0.52) KDM4EALDH1A1HPGDRAB9AHTT

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
CN-119285617-A 1,3, 5-Trisubstituted indole derivatives and use thereof 沈阳药科大学 2025-01-10 CN disclosed