SCHEMBL2854574

SCHEMBL2854574

Cc1c(OC(=O)Nc2cccc3cccnc23)cnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
KDR P35968 2/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL2860460 0.90 MAPT (0.54) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL2850383 0.85 KMT2A (0.47) HSP90AA1KDRMEN1KMT2ARAB9A
SCHEMBL2853255 0.85 HSP90AA1 (0.48) HSP90AA1KDRMEN1KMT2ARAB9A
SCHEMBL2853250 0.82 RAB9A (0.67) KDRMEN1KMT2ARAB9AMAPT
SCHEMBL2854815 0.80 MEN1 (0.50) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL2854348 0.78 RAB9A (0.54) RAB9AMAPTSMN1; SMN2NPC1POLB
SCHEMBL2857897 0.78 MAPT (0.47) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL2854503 0.77 KDR (0.47) HSP90AA1KDRMEN1KMT2ARAB9A
SCHEMBL2854465 0.77 RAB9A (0.47) RAB9AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL2850858 0.77 KDR (0.48) HSP90AA1KDRMEN1KMT2ARAB9A

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed