SCHEMBL8414862

SCHEMBL8414862

Cn1nc(COc2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL20273733 0.78 CNR1 (0.39) CNR1CNR2NPC1RAB9ATP53
SCHEMBL14892448 0.76 KDM4E (0.41) CNR1CNR2KDM4ESMN1; SMN2
SCHEMBL30174489 0.76 CNR2 (0.41) CNR1CNR2KDM4EPKM
SCHEMBL17910321 0.75 KDM4E (0.41) CNR1CNR2KDM4E
SCHEMBL29585194 0.75 KDM4E (0.41) CNR1CNR2KDM4E
SCHEMBL5009531 0.75 L3MBTL1 (0.45) CNR1CNR2POLBKDM4ESMN1; SMN2
SCHEMBL17127619 0.75 NPC1 (0.43) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL1695382 0.75 CYP1A2 (0.43) CNR1CNR2KDM4ESMN1; SMN2
SCHEMBL3436124 0.75 SLC16A3 (0.45) CNR1CNR2KDM4ESMN1; SMN2
SCHEMBL8426902 0.74 KDM4E (0.41) CNR1CNR2KDM4EKMT2ATSHR

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-5877170-A VIRICIDES DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 — — US claimed
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