SCHEMBL6090170

SCHEMBL6090170

O=C1NN=C(C2CC2)/C1=C/c1ccc(-c2ccccc2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NOTUM Q6P988 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
S1PR4 O95977 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 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
SCHEMBL6087800 0.79 PDPK1 (0.40) KDRMEN1KMT2ANPSR1L3MBTL1
SCHEMBL6092439 0.76 PDPK1 (0.44) KMT2ANPC1POLBMAPTRAB9A
SCHEMBL6089471 0.75 SIRT1 (0.50) NPSR1MAPTPRF1
SCHEMBL6091031 0.73 KDR (0.40) KDRALDH1A1LMNAMEN1KMT2A
SCHEMBL6091028 0.73 KDR (0.40) KDRALDH1A1LMNAMEN1KMT2A
SCHEMBL6089547 0.70 PDPK1 (0.45) KDRALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6089435 0.70 PDPK1 (0.45) KDRALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6089543 0.70 PDPK1 (0.45) KDRALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6092131 0.70 KDR (0.34) KDR
SCHEMBL6091402 0.70 KDR (0.38) KDRALDH1A1LMNAMEN1KMT2A

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