SCHEMBL10595686

SCHEMBL10595686

Brc1ccc(SCCCCSc2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAOA P21397 1/20 0.48
HSP90AA1 P07900 1/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.42
CYP2A6 P11509 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL22463787 0.91 HSP90AA1 (0.46) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL10597373 0.89 ALDH1A1 (0.52) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL9100085 0.89 MAPT (0.51) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL9472093 0.89 CA2 (0.56) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL7324158 0.89 HSP90AA1 (0.45) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL7928406 0.87 TP53 (0.50) SMN1; SMN2MAOAHSP90AA1KCNH2MAOB
SCHEMBL9361405 0.87 TP53 (0.50) SMN1; SMN2MAOAHSP90AA1KCNH2MAOB
SCHEMBL3842009 0.87 TP53 (0.50) SMN1; SMN2MAOAHSP90AA1KCNH2MAOB
SCHEMBL10528156 0.87 TP53 (0.50) SMN1; SMN2MAOAHSP90AA1KCNH2MAOB
SCHEMBL9096083 0.87 TP53 (0.50) SMN1; SMN2MAOAHSP90AA1KCNH2MAOB

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-4833121-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-23 US disclosed