SCHEMBL29136185

SCHEMBL29136185

COc1ccc(Cn2[c]cc3cc(Cl)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.52
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
PTGS2 P35354 1/20 0.41
DCTPP1 Q9H773 2/20 0.41
CXCR2 P25025 1/20 0.41
TBXA2R P21731 1/20 0.41
KCNA3 P22001 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
CMA1 P23946 1/20 0.40
POLB P06746 1/20 0.38
KMT2A Q03164 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
SCHEMBL29136196 0.90 MAPT (0.43) CCR2MAPTTP53PTGS2DCTPP1
SCHEMBL29136199 0.88 CCR2 (0.55) CCR2MAPTTP53CXCR2KDM4E
SCHEMBL29136172 0.87 CCR2 (0.38) CCR2MAPTTP53PTGS2CXCR2
SCHEMBL29136197 0.82 KDM4E (0.44) MAPTPTGS2KDM4EALDH1A1POLB
SCHEMBL3091129 0.81 P2RX4 (0.48) MAPTTP53KDM4EALDH1A1ALOX15
SCHEMBL29136191 0.81 MAPT (0.40) CCR2MAPTPTGS2TBXA2RALDH1A1
SCHEMBL28415278 0.80 DCTPP1 (0.41) MAPTDCTPP1KDM4EALDH1A1ALOX15
SCHEMBL29136187 0.78 P2RX3 (0.39) CCR2KCNA3KDM4EALDH1A1
SCHEMBL29136194 0.77 SLC6A2 (0.42) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL29136176 0.75 IDO1 (0.47) CCR2KDM4EALDH1A1POLBKMT2A

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-117003739-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 安徽中医药大学 2023-11-07 CN disclosed