SCHEMBL8874909

SCHEMBL8874909

CCCC(C)n1nc(C(N)=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.48
▸ CNR1 P21554 4/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ HTR4 Q13639 5/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ CFD P00746 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL8875819 0.89 ELANE (0.50) ELANECNR1CNR2HTR4SCN9A
SCHEMBL6956445 0.88 HTR4 (0.45) ELANEHTR4KMT2AKDM4EF2
SCHEMBL6948875 0.86 HTR4 (0.44) ELANECNR1CNR2HTR4KMT2A
SCHEMBL4777015 0.83 ELANE (0.55) ELANEHTR4SCN9AKMT2AKDM4E
SCHEMBL8876561 0.82 ELANE (0.51) ELANECNR1CNR2HTR4SCN9A
Hydrochloric Acid SCHEMBL27569092 0.81 ELANE (0.54) ELANEHTR4SCN9AKMT2A
Oxalic Acid SCHEMBL7429472 0.79 ELANE (0.55) ELANEHTR4SCN9AKMT2A
Oxalic Acid SCHEMBL27529758 0.79 ELANE (0.55) ELANEHTR4SCN9AKMT2A
Hydrochloric Acid SCHEMBL27874999 0.79 CNR1 (0.43) ELANECNR1CNR2HTR4SCN9A
SCHEMBL28253854 0.77 ELANE (0.55) ELANEHTR4SCN9ACFDKMT2A

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-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 — — US disclosed
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