SCHEMBL8878734

SCHEMBL8878734

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ MAP3K14 Q99558 4/20 0.42
▸ HTR4 Q13639 5/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CFD P00746 2/20 0.39
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PARP1 P09874 1/20 0.37

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
SCHEMBL8714860 0.88 KMT2A (0.44) ELANEKDM4EHTR4KMT2AF2
SCHEMBL8714243 0.86 KDM4E (0.43) ELANEKDM4EHTR4KMT2AF2
SCHEMBL8874944 0.86 ELANE (0.45) ELANEKDM4ESCN9AMAP3K14HTR4
SCHEMBL4777015 0.83 ELANE (0.55) ELANEKDM4ESCN9AHTR4KMT2A
Hydrochloric Acid SCHEMBL27569092 0.81 ELANE (0.54) ELANESCN9AHTR4KMT2A
Oxalic Acid SCHEMBL27529758 0.79 ELANE (0.55) ELANESCN9AHTR4KMT2A
Oxalic Acid SCHEMBL7429472 0.79 ELANE (0.55) ELANESCN9AHTR4KMT2A
SCHEMBL8875819 0.78 ELANE (0.50) ELANEKDM4ESCN9AMAP3K14HTR4
SCHEMBL28253854 0.77 ELANE (0.55) ELANEKDM4ESCN9AMAP3K14HTR4
SCHEMBL8876561 0.76 ELANE (0.51) ELANEKDM4ESCN9AMAP3K14HTR4

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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