SCHEMBL10489779

SCHEMBL10489779

Cc1cccc2nc(Oc3ccc([N+](=O)[O-])cc3)oc(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.59
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 2/20 0.44
CTRB1 P17538 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7174591 0.76 ELANE (0.59) ELANEALDH1A1MAPTLMNARAB9A
SCHEMBL6503868 0.76 ELANE (0.71) ELANEMAPTCTRB1
SCHEMBL10657051 0.75 ELANE (1.00) ELANECTRB1
SCHEMBL10662669 0.72 ELANE (0.73) ELANECTRB1
SCHEMBL10489711 0.71 ELANE (1.00) ELANE
SCHEMBL31448160 0.70 HSPB1 (0.53) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL10662992 0.69 ELANE (0.63) ELANEALDH1A1MAPT
SCHEMBL10489757 0.69 ELANE (0.66) ELANE
SCHEMBL10489670 0.69 ELANE (0.66) ELANE
SCHEMBL10489879 0.69 ELANE (0.69) ELANE

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-4873232-A ARTHRITIS AND AUTOIMMUNE DISEASES SYNTEX (US) 1989-10-10 US disclosed