SCHEMBL27612686

SCHEMBL27612686

COC(=O)N1c2cc(N)ccc2CC1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOTUM Q6P988 1/20 0.43
MCL1 Q07820 1/20 0.41
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
PKM P14618 1/20 0.38
GFER P55789 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL27612384 0.89 LMNA (0.44) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL5798751 0.84 NOTUM (0.62) LMNAMAPTNOTUMKDM4EGAA
SCHEMBL29923052 0.79 NOTUM (0.69) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL20059520 0.79 NOTUM (0.69) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL7416927 0.72 NOTUM (0.62) LMNAMAPTNOTUMKDM4EGAA
SCHEMBL3035084 0.72 NOTUM (0.46) ALDH1A1NOTUMGAASMN1; SMN2SLC22A12
SCHEMBL4611468 0.72 MAPT (0.41) ALDH1A1LMNAMAPTNOTUMKDM4E
SCHEMBL6747225 0.71 NOTUM (0.43) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL29963540 0.71 BRD4 (0.51) ALDH1A1LMNAMAPTL3MBTL1NOTUM
SCHEMBL2306434 0.71 BRD4 (0.51) ALDH1A1LMNAMAPTL3MBTL1NOTUM

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-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed