SCHEMBL29100535

SCHEMBL29100535

c1ccc(C2CCSc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL11729200 0.86 NPC1 (0.40) USP2ALPLALPINPC1MEN1
SCHEMBL29100527 0.82 KMT2A (0.46) MEN1KMT2A
SCHEMBL29100568 0.82 ALDH1A1 (0.39) USP2MEN1KMT2A
SCHEMBL9565765 0.80 MEN1 (0.44) NPC1MEN1KMT2A
SCHEMBL22332702 0.80 KDM4E (0.38) USP2NPC1
SCHEMBL20856133 0.80 KDM4E (0.38) USP2NPC1
SCHEMBL11733043 0.77 KMT2A (0.47) USP2NPC1MEN1KMT2A
SCHEMBL11752971 0.76 KMT2A (0.52) NPC1MEN1KMT2A
SCHEMBL11750267 0.76 MAPK1 (0.66) MEN1KMT2A
SCHEMBL11750866 0.75 KMT2A (0.41) USP2ALPLALPIMEN1KMT2A

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-117003761-A Method for preparing medical intermediate chromene [4,3-d ] pyrimidine dione derivative by using renewable catalytic system 马鞍山市泰博化工科技有限公司 2023-11-07 CN disclosed