SCHEMBL31323947

SCHEMBL31323947

CCn1cc(C(=O)O)c2cc(Br)ccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
IDO1 P14902 7/20 0.51
HTT P42858 1/20 0.51
ENPP2 Q13822 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL27693950 0.91 LMNA (0.73) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31211717 0.85 NR4A2 (0.66) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29051473 0.85 IDO1 (0.70) LMNAKDM4EIDO1HTTCNR2
SCHEMBL25084322 0.84 IDO1 (0.52) LMNAKDM4EALDH1A1IDO1CNR2
SCHEMBL12485058 0.84 KDM4E (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25742101 0.83 LMNA (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12485507 0.83 KDM4E (0.54) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12485447 0.83 KDM4E (0.54) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25742112 0.82 LMNA (0.55) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31323972 0.81 KDM4E (0.50) LMNAKDM4EALDH1A1HPGDHSD17B10

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