SCHEMBL8890230

SCHEMBL8890230

COC(=O)C=Cc1ccc2cc(-c3cccc(F)c3)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
RELA Q04206 4/20 0.47
NR1H4 Q96RI1 5/20 0.46
IP6K1 Q92551 1/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
TTR P02766 1/20 0.43
APP P05067 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42

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
SCHEMBL8879272 0.91 KMT2A (0.57) KMT2ASMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL8879268 0.91 KMT2A (0.57) KMT2ASMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL8889043 0.79 RELA (0.47) KMT2ASMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL26791222 0.78 KDM4E (0.60) KMT2ASMN1; SMN2KDM4ENR1H4IP6K1
SCHEMBL30634278 0.78 KDM4E (0.60) KMT2ASMN1; SMN2KDM4ENR1H4IP6K1
SCHEMBL8501472 0.78 PDGFRB (0.57) KMT2ASMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL8890227 0.77 PDGFRB (0.48) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL8890238 0.77 PDGFRB (0.48) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL1431915 0.76 KMT2A (0.58) KMT2ASMN1; SMN2RELANR1H4NPC1
SCHEMBL31318867 0.76 KMT2A (0.58) KMT2ASMN1; SMN2RELANR1H4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US claimed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed