SCHEMBL6696712

SCHEMBL6696712

CCc1cccc2sc(SN(C3CCCCC3)C3CCCCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 4/20 0.42
IDO1 P14902 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
TXN P10599 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 3/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
GRIN2B Q13224 2/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6694300 0.91 CYP1A2 (0.40) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL6697211 0.84 ALDH1A1 (0.43) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL6688611 0.82 ALDH1A1 (0.50) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL6691552 0.81 ALDH1A1 (0.40) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL6699266 0.81 ALDH1A1 (0.47) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL6694941 0.80 ALDH1A1 (0.39) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL7693278 0.78 ALDH1A1 (0.60) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL1771423 0.75 MEN1 (0.49) MEN1KMT2AMAPTIDO1SMN1; SMN2
SCHEMBL29351180 0.75 CYP1A2 (0.65) KMT2ACYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL212831 0.75 CYP1A2 (0.65) KMT2ACYP1A2CYP2D6MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869016-B1 Pneumatic radial tires BRIDGESTONE CORP (JP) 2004-03-03 EP disclosed
US-6336486-B1 Pneumatic radical tire having cap base tread BRIDGESTONE CORPORATION (JP) 2002-01-08 US disclosed
EP-0869016-A2 Pneumatic radial tires Bridgestone Corporation (JP) 1998-10-07 EP disclosed