SCHEMBL8876561

SCHEMBL8876561

CCC(CC)n1nc(C(N)=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.51
▸ SCN9A Q15858 1/20 0.45
▸ PARP1 P09874 1/20 0.41
▸ HTR4 Q13639 3/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ CFD P00746 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 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
Hydrochloric Acid SCHEMBL27874999 0.87 CNR1 (0.43) ELANESCN9APARP1HTR4CNR1
SCHEMBL8875819 0.87 ELANE (0.50) ELANESCN9APARP1HTR4CNR1
SCHEMBL6951757 0.87 KMT2A (0.43) ELANEHTR4KMT2AKDM4EF2
SCHEMBL6956782 0.85 HTR4 (0.41) ELANEHTR4KMT2AKDM4EF2
SCHEMBL4777015 0.83 ELANE (0.55) ELANESCN9AHTR4KMT2AKDM4E
Hydrochloric Acid SCHEMBL27569092 0.82 ELANE (0.54) ELANESCN9AHTR4KMT2A
SCHEMBL8874909 0.82 ELANE (0.48) ELANESCN9APARP1HTR4CNR1
SCHEMBL28253854 0.80 ELANE (0.55) ELANESCN9APARP1HTR4CFD
Oxalic Acid SCHEMBL7429472 0.79 ELANE (0.55) ELANESCN9AHTR4KMT2A
Oxalic Acid SCHEMBL27529758 0.79 ELANE (0.55) ELANESCN9AHTR4KMT2A

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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