SCHEMBL9650280

SCHEMBL9650280

CC(C)(C)C(=O)Nc1ccncc1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.46
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
GAA P10253 1/20 0.41
AOC1 P19801 1/20 0.41
AOC3 Q16853 1/20 0.41
PRMT3 O60678 2/20 0.40
BRS3 P32247 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 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
SCHEMBL5282388 0.76 TSHR (0.45) KDM4CCNR1CNR2GAABRS3
Hydrochloric Acid SCHEMBL9043124 0.75 TSHR (0.44) KDM4CCNR1CNR2GAABRS3
SCHEMBL5282911 0.74 BRS3 (0.42) KDM4CGAABRS3TSHRKMT2A
SCHEMBL31576010 0.74 TSHR (0.42) TSHRALDH1A1AAK1NPC1RAB9A
SCHEMBL9911853 0.70 MAPT (0.46) KDM4CTSHRAAK1NPC1RAB9A
SCHEMBL1190850 0.70 TSHR (0.49) TSHRAAK1NPC1RAB9ASMN1; SMN2
SCHEMBL4153508 0.70 TSHR (0.49) TSHRAAK1NPC1RAB9ASMN1; SMN2
SCHEMBL9042912 0.70 KDM6B (0.43) KDM4CGAATSHRALDH1A1KMT2A
SCHEMBL9659435 0.70 ALDH1A1 (0.45) TSHRALDH1A1KMT2ANPC1HTT
SCHEMBL9039809 0.70 BRS3 (0.47) KDM4CBRS3TSHRALDH1A1NPC1

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
EP-0480155-A2 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-15 EP disclosed