SCHEMBL25530737

SCHEMBL25530737

N=C(N)Cn1cccc(N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.45
▸ PARP1 P09874 1/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ADRA1D P25100 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ PLAT P00750 1/20 0.32

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
SCHEMBL7021949 0.84 ELANE (0.49) ELANEPARP1EGLN1VEGFAKDM4E
SCHEMBL197253 0.80 ELANE (0.49) ELANEPARP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3724946 0.75 ELANE (0.48) ELANEPARP1ALDH1A1SMN1; SMN2BRD4
SCHEMBL8649103 0.75 ELANE (0.51) ELANEKDM4EALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL20944983 0.73 ELANE (0.50) ELANEKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL25433288 0.73 ELANE (0.43) ELANEPARP1EGLN1VEGFAKDM4E
SCHEMBL13923526 0.73 ELANE (0.46) ELANEPARP1EGLN1VEGFAKDM4E
Trifluoroacetic Acid SCHEMBL761835 0.72 ELANE (0.55) ELANEPARP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20338739 0.72 HSD17B10 (0.47) ELANEPARP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3911656 0.72 ALDH1A1 (0.50) ELANEKDM4EALDH1A1SMN1; SMN2MAPT

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-3833348-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2023-05-31 — — EP disclosed
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