SCHEMBL22479445

SCHEMBL22479445

CN1N=C(C(=O)Nc2ncc(COc3cccc(Cl)c3)s2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
RAB9A P51151 5/20 0.42
MAPT P10636 7/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.42
ABL1 P00519 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
SCD O00767 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21394864 0.85 LMNA (0.62) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL22479584 0.81 MEN1 (0.48) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL21394885 0.80 SCD (0.56) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL29353929 0.80 RAB9A (0.43) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL21394436 0.80 RAB9A (0.43) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL21395177 0.79 MEN1 (0.56) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL21394796 0.78 POLB (0.59) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL29356996 0.78 POLB (0.59) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL21394669 0.77 RAB9A (0.56) LMNARAB9AMAPTKMT2ANPC1
SCHEMBL21394799 0.77 LMNA (0.45) LMNARAB9AMAPTKMT2ANPC1

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed