SCHEMBL6502675

SCHEMBL6502675

S=C(S)Oc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL435144 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31734268 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL670301 0.81 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5577241 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19435589 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10416676 0.79 NOS3 (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27936240 0.79 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11121873 0.79 NOS3 (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7351837 0.79 CES2 (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29244877 0.78 NOS3 (0.41) KDM4ELMNACCR1CCR5CCR8

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
US-20050182148-A1 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2005-08-18 US disclosed
US-3764608-A PYRIDYL XANTHATES AND METHODS FOR PREPARING THE SAME DOW CHEMICAL CO 1973-10-09 US disclosed