SCHEMBL8552341

SCHEMBL8552341

CCCCOC(C)Oc1ccnc(-c2nc3cc(C(F)(F)F)ccc3n2SC)c1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RXRA P19793 2/20 0.32
▸ CACNA1D Q01668 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ USP2 O75604 2/20 0.31

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
SCHEMBL8550783 0.91 USP2 (0.34) CNR2CACNA1DHTR2BHTR6PTGDR2
SCHEMBL8552697 0.87 TDP1 (0.38) TDP1
SCHEMBL8553301 0.87 PDE2A (0.36) PDE2A
SCHEMBL8550150 0.86 LMNA (0.34) —
SCHEMBL8551253 0.86 PDE2A (0.33) PDE2ACNR2CNR1KDM4ETDP1
SCHEMBL8550130 0.85 PDE2A (0.33) PDE2ACNR2CNR1KDM4ETDP1
SCHEMBL8552377 0.85 SMN1; SMN2 (0.37) PDE2AKDM4E
SCHEMBL8552344 0.83 S1PR1 (0.30) CNR2
SCHEMBL8550785 0.81 PPARG (0.36) CNR2PPARDRXRACACNA1DHTR2B
SCHEMBL8667814 0.80 HTR2B (0.34) CNR2KDM4ETDP1CACNA1DHTR2B

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-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 — — US disclosed
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