SCHEMBL6697211

SCHEMBL6697211

Cc1cccc2sc(SN(C3CCCCC3)C3CCCCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ACHE P22303 6/20 0.40
GRIN2B Q13224 4/20 0.40
BCHE P06276 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TXN P10599 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL6699266 0.84 ALDH1A1 (0.47) ALDH1A1TP53NPC1TSHRRAB9A
SCHEMBL6696712 0.84 MEN1 (0.46) ALDH1A1TP53NPC1TSHRRAB9A
SCHEMBL6694300 0.82 CYP1A2 (0.40) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6688611 0.81 ALDH1A1 (0.50) ALDH1A1TP53SMN1; SMN2CYP1A2CYP2D6
SCHEMBL6691552 0.79 ALDH1A1 (0.40) ALDH1A1TP53CYP1A2CYP2D6MAPT
SCHEMBL6694941 0.78 ALDH1A1 (0.39) ALDH1A1TP53CYP1A2CYP2D6MAPT
SCHEMBL29351180 0.78 CYP1A2 (0.65) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL212831 0.78 CYP1A2 (0.65) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL547028 0.76 ALDH1A1 (0.64) ALDH1A1TP53NPC1TSHRRAB9A
SCHEMBL11536996 0.76 CYP1A2 (0.63) ALDH1A1NPC1TSHRRAB9ASMN1; 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