SCHEMBL29204803

SCHEMBL29204803

COC(=O)c1ccc(N2CCNCC2)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRPK1 Q96SB4 2/20 0.54
KDR P35968 1/20 0.54
SRPK2 P78362 1/20 0.54
SRPK3 Q9UPE1 1/20 0.54
TP53 P04637 2/20 0.53
WDR5 P61964 4/20 0.53
XPO1 O14980 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL29204844 0.87 RXFP1 (0.56) WDR5XPO1KMT2AMAPTALDH1A1
SCHEMBL29204813 0.87 WDR5 (0.57) WDR5XPO1KMT2AMAPTALDH1A1
SCHEMBL29204824 0.82 XPO1 (0.61) SRPK1KDRSRPK2SRPK3TP53
SCHEMBL13659894 0.82 MAPT (0.62) SRPK1KDRSRPK2SRPK3TP53
SCHEMBL1481753 0.80 DDR1 (0.52) TP53MAPTALDH1A1
SCHEMBL29204841 0.80 XPO1 (0.66) TP53WDR5XPO1KMT2AMAPT
SCHEMBL17305365 0.79 ERAP1 (0.48) KMT2AMAPTMEN1TSHRGAA
SCHEMBL29204837 0.79 XPO1 (0.65) SRPK1KDRSRPK2SRPK3TP53
SCHEMBL29204820 0.78 XPO1 (0.67) SRPK1KDRSRPK2SRPK3TP53
SCHEMBL7662821 0.77 NPC1 (0.53) WDR5KMT2AMAPTALDH1A1TSHR

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
CN-117964578-A Non-covalent CRM1 inhibitor and preparation method and application thereof 四川大学 2024-05-03 CN disclosed