SCHEMBL9871307

SCHEMBL9871307

Cc1c(C)c(C)c2c(c1C)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1c(C)c(C)c(C)c(C)c21.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 2/20 0.32
TOP2A P11388 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3456400 0.99 MEN1 (0.35) MEN1THRBAPEX1RECQLBLM
SCHEMBL483589 0.97 MEN1 (0.35) MEN1THRBAPEX1RECQLBLM
Ciaftalan SCHEMBL9792952 0.93 MEN1 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL813548 0.93 MEN1 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL2786994 0.91 MEN1 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL8958676 0.84 HSD17B10 (0.40) MEN1KMT2ACYP1A2CYP3A4HSD17B10
Ciaftalan SCHEMBL239995 0.81 MEN1 (0.45) MEN1THRBAPEX1RECQLBLM
Ciaftalan SCHEMBL590020 0.81 MEN1 (0.45) MEN1THRBAPEX1RECQLBLM
SCHEMBL8414712 0.80 MEN1 (0.37) MEN1THRBAPEX1RECQLBLM
SCHEMBL789380 0.79 MEN1 (0.39) MEN1THRBAPEX1RECQLBLM

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-4996311-A Crystal structure, stability COMMISSARIAT A. L'ENERGIE ATOMIQUE (FR) 1991-02-26 US disclosed