SCHEMBL31473389

SCHEMBL31473389

CC(C)N(C)c1ccc(C(=O)c2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
HCAR3 P49019 2/20 0.46
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ELANE P08246 1/20 0.42
SRD5A2 P31213 1/20 0.42
VNN1 O95497 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2815194 0.84 HCAR3 (0.62) HPGDHCAR3GABRA1GABRB1ALDH1A1
SCHEMBL31473426 0.82 HCAR3 (0.47) RAB9ANPC1HCAR3ALDH1A1NPSR1
SCHEMBL27299041 0.79 ALDH1A1 (0.50) HPGDHCAR3ABCB1ALDH1A1SMN1; SMN2
SCHEMBL27299149 0.75 HCAR3 (0.41) HCAR3ALDH1A1MEN1KMT2A
SCHEMBL31473467 0.75 HCAR3 (0.41) HCAR3ALDH1A1MEN1KMT2A
SCHEMBL12894455 0.74 ALDH1A1 (0.48) HPGDRAB9ANPC1GABRA1GABRB1
SCHEMBL12921446 0.72 HDAC1 (0.55) HPGDRAB9ANPC1ALDH1A1ELANE
SCHEMBL14319660 0.71 ALDH1A1 (0.49) HPGDRAB9ANPC1ALDH1A1PTGS2
Benzophenone SCHEMBL27422465 0.70 ALDH1A1 (0.78) HPGDRAB9ANPC1ALDH1A1ELANE
SCHEMBL11141744 0.70 ALDH1A1 (0.56) HPGDRAB9ANPC1GABRA1GABRB1

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-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed