SCHEMBL6088477

SCHEMBL6088477

O=C1NN=C(CCc2ccc([N+](=O)[O-])cc2)C1=Cc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.53
MAPT P10636 6/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
PSMD14 O00487 1/20 0.45
GAA P10253 1/20 0.45
TLR9 Q9NR96 1/20 0.45
NTRK1 P04629 3/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
KDR P35968 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
SCHEMBL6091409 0.87 NTRK1 (0.51) RETMAPTMEN1KMT2AGAA
SCHEMBL6090642 0.85 NTRK1 (0.47) RETMAPTMEN1KMT2AGAA
SCHEMBL6091523 0.85 NTRK1 (0.47) RETMAPTMEN1KMT2AGAA
SCHEMBL6092743 0.85 NTRK1 (0.47) RETMAPTMEN1KMT2AGAA
SCHEMBL6088705 0.85 NTRK1 (0.47) RETMAPTMEN1KMT2ANTRK1
SCHEMBL6091507 0.83 NTRK1 (0.48) RETMAPTMEN1KMT2ANTRK1
SCHEMBL6091232 0.81 NTRK1 (0.49) RETMAPTMEN1KMT2AGAA
SCHEMBL6091236 0.81 NTRK1 (0.49) RETMAPTMEN1KMT2AGAA
SCHEMBL6090360 0.80 RAB9A (0.42) RETMAPTMEN1KMT2ANTRK1
SCHEMBL6087595 0.80 NTRK1 (0.52) RETMAPTMEN1KMT2ANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed