SCHEMBL9856903

SCHEMBL9856903

Cc1ccc(-c2c(C(=O)c3ccc4ccccc4c3-c3ccc(C)cc3C)ccc3ccccc23)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.47
SOS1 Q07889 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
CNR2 P34972 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 2/20 0.42
THRB P10828 1/20 0.42
KDM4A O75164 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL9857422 0.84 WDR5 (0.54) WDR5SOS1MEN1KMT2AGAA
SCHEMBL27349326 0.83 WDR5 (0.51) WDR5SOS1CNR2CYP1A2CYP2A6
SCHEMBL9856893 0.80 CYP2A6 (0.43) SOS1MEN1KMT2AGAAPOLB
SCHEMBL9857575 0.80 WDR5 (0.51) WDR5MEN1KMT2ACNR2NPC1
SCHEMBL7170867 0.78 CYP2A6 (0.44) MEN1KMT2ACYP1A2CYP2A6THRB
SCHEMBL9856910 0.78 CYP1A2 (0.42) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL11832478 0.78 KMT2A (0.50) MEN1KMT2AGAAPOLBCNR2
SCHEMBL14150504 0.78 WDR5 (0.63) WDR5SOS1MEN1KMT2AGAA
SCHEMBL6253078 0.74 THRB (0.49) MEN1KMT2AGAAPOLBNPC1
SCHEMBL9857431 0.74 CYP1A2 (0.44) WDR5MEN1KMT2ACNR2CYP1A2

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-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed