SCHEMBL31309014

SCHEMBL31309014

CCOc1ncc(CN(C)C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 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
SCHEMBL22093864 1.00 LMNA (0.48) LMNAMAPTTSHRNPC1RAB9A
SCHEMBL31308175 0.91 KDR (0.44) LMNAMAPTTSHRNPC1RAB9A
SCHEMBL22094165 0.91 KDR (0.44) LMNAMAPTTSHRNPC1RAB9A
SCHEMBL22094245 0.90 NPC1 (0.48) LMNAMAPTTSHRNPC1RAB9A
SCHEMBL31308206 0.90 NPC1 (0.48) LMNAMAPTTSHRNPC1RAB9A
SCHEMBL22094573 0.90 POLB (0.37) LMNAMAPTTSHRNPC1RAB9A
SCHEMBL31308527 0.88 NPC1 (0.49) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22094017 0.88 NPC1 (0.49) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22094711 0.87 GAA (0.47) LMNAMAPTTSHRNPC1RAB9A
SCHEMBL22094179 0.87 KMT2A (0.44) LMNAMAPTTSHRNPC1RAB9A

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-113923988-B Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2024-12-13 CN disclosed