SCHEMBL4028215

SCHEMBL4028215

Cc1nccc2c(NC(=O)O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 2/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
EDNRA P25101 1/20 0.42
CYP2A6 P11509 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.40
NTRK1 P04629 2/20 0.40
NTRK3 Q16288 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL4022010 0.89 KMT2A (0.60) MEN1KMT2ATRPV1ALDH1A1KDM4E
SCHEMBL2359677 0.87 KDM4E (0.56) MEN1KMT2ATRPV1ALDH1A1KDM4E
SCHEMBL3201877 0.83 TRPV1 (0.51) MEN1KMT2ATRPV1ALDH1A1KDM4E
SCHEMBL4022354 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4435631 0.82 NPC1 (0.55) MEN1KMT2AHPGDPOLBLMNA
SCHEMBL14549202 0.82 KDM4E (0.52) MEN1KMT2ATRPV1ALDH1A1KDM4E
SCHEMBL29773631 0.81 METAP1 (0.46) MEN1KMT2ATRPV1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11403968 0.80 KDM4E (0.50) MEN1KMT2ATRPV1ALDH1A1KDM4E
SCHEMBL28304457 0.80 NTRK1 (0.49) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL28565556 0.78 MEN1 (0.40) MEN1KMT2ATRPV1ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP claimed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed