SCHEMBL9876227

SCHEMBL9876227

Cc1cccc2c3c(cc-2c1)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
ALOX12 P18054 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FYN P06241 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL9876199 0.98 MEN1 (0.47) MEN1KMT2ACHRNB4CHRNA3NPC1
SCHEMBL9876297 0.96 MEN1 (0.45) MEN1KMT2ACHRNB4CHRNA3NPC1
SCHEMBL9876322 0.78 LMNA (0.36) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9875676 0.78 MEN1 (0.44) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL9875240 0.77 TSHR (0.42) PARP10PARP11L3MBTL1BCL2L1BAD
SCHEMBL9876374 0.77 ALDH1A1 (0.36) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9873863 0.77 ALDH1A1 (0.36) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9876279 0.77 ALDH1A1 (0.36) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL19473256 0.77 NPSR1 (0.40) CHRNB4CHRNA3NPC1MAPTRAB9A
SCHEMBL9875353 0.76 MEN1 (0.42) MEN1KMT2ANPC1MAPTRAB9A

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
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed