SCHEMBL2641908

SCHEMBL2641908

O=C(O)NCc1ccc(C=Cc2ccc(Cl)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP2C9 P11712 2/20 0.43
NAMPT P43490 1/20 0.43
FAAH O00519 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MMP1 P03956 2/20 0.41

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
SCHEMBL2641902 1.00 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3704245 0.84 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTSMN1; SMN2CYP2C9
SCHEMBL2641915 0.82 HDAC3 (0.43) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL2641924 0.82 HDAC3 (0.41) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL2641827 0.82 HDAC1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL2641917 0.82 HDAC3 (0.41) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL2641913 0.82 HDAC3 (0.43) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL2641833 0.82 HDAC1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL2641912 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL2641909 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO claimed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed