SCHEMBL9718873

SCHEMBL9718873

c1ccc(Nc2ccc3[nH]c(Nc4ccccc4)nc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
AKR1C3 P42330 1/20 0.56
DDX3X O00571 1/20 0.53
RIPK1 Q13546 1/20 0.52
CSNK1A1 P48729 3/20 0.51
CSNK1D P48730 3/20 0.51
GSK3B P49841 2/20 0.51
CSNK1G2 P78368 2/20 0.51
PDE10A Q9Y233 1/20 0.47
CYP26A1 O43174 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL9718864 0.87 RIPK1 (0.63) MEN1KMT2AAKR1C3DDX3XRIPK1
SCHEMBL9368578 0.84 RAB9A (0.57) MEN1KMT2AAKR1C3DDX3XRIPK1
SCHEMBL1333872 0.84 MEN1 (0.51) MEN1KMT2AAKR1C3DDX3XRIPK1
SCHEMBL1663100 0.84 MEN1 (0.68) MEN1KMT2AAKR1C3DDX3XRIPK1
SCHEMBL28837680 0.84 POLB (0.56) MEN1KMT2AAKR1C3DDX3XRIPK1
Hydrochloric Acid SCHEMBL9368907 0.83 RAB9A (0.56) MEN1KMT2AAKR1C3DDX3XRIPK1
SCHEMBL30020996 0.82 MEN1 (0.75) MEN1KMT2AAKR1C3DDX3XRIPK1
SCHEMBL239690 0.82 MEN1 (0.75) MEN1KMT2AAKR1C3DDX3XRIPK1
SCHEMBL24375840 0.81 KDR (0.59) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL2929452 0.80 AKR1C3 (0.71) MEN1KMT2AAKR1C3DDX3XRIPK1

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-5151472-A Dissolving polyetherimides in a solvent, adding a dianhydride and a diamine, reacting to form a polyamic acid and cyclizing to form a polyimide GENERAL DYNAMICS CORPORATION, CONVAIR DIVISION (US) 1992-09-29 US claimed