SCHEMBL11369380

SCHEMBL11369380

CC(C)Cn1cnnc1S

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ TLR7 Q9NYK1 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TOP2A P11388 1/20 0.30

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
SCHEMBL11381751 0.80 HTT (0.31) LMNANPC1RAB9A
SCHEMBL18782775 0.77 POLB (0.42) POLBTLR7LMNAHRH2ADRA1D
SCHEMBL17483796 0.73 POLB (0.36) POLB
SCHEMBL24665881 0.72 POLB (0.35) POLB
Hydrochloric Acid SCHEMBL5658304 0.71 POLB (0.34) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL8171873 0.69 ALDH1A1 (0.40) POLBLMNAADORA2APDE4DNPC1
SCHEMBL11381033 0.67 TLR8 (0.40) POLBLMNA
SCHEMBL9895535 0.65 MAP3K5 (0.30) —
SCHEMBL11369866 0.64 ADORA2B (0.37) —
SCHEMBL14204032 0.62 QPCTL (0.48) LMNAGSK3BNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4271308-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-06-02 — — US disclosed
US-4120864-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-10-17 — — US disclosed
Send feedback