SCHEMBL5829080

SCHEMBL5829080

COc1ccc2[nH]c(C(=Cc3ccccc3)c3ccccc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
FLT3 P36888 2/20 0.55
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL5829074 1.00 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5829078 1.00 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5829672 0.88 MEN1 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5829674 0.88 MEN1 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5829677 0.88 MEN1 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5828246 0.84 MEN1 (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5828241 0.84 MEN1 (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5827563 0.81 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5827564 0.81 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5828060 0.79 MEN1 (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed