SCHEMBL21394957

SCHEMBL21394957

CN1N=C(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)CCC1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.58
NAMPT P43490 1/20 0.54
SCD5 Q86SK9 11/20 0.54
FSCN1 Q16658 1/20 0.51
SCD O00767 11/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.48
TAS2R8 Q9NYW2 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL29356951 0.81 RAB9A (0.55) FSCN1MEN1MAPTKMT2ARAB9A
SCHEMBL21394401 0.81 RAB9A (0.55) FSCN1MEN1MAPTKMT2ARAB9A
SCHEMBL21394665 0.81 RAB9A (0.50) FSCN1MEN1LMNAMAPTKMT2A
SCHEMBL21394444 0.78 RAB9A (0.46) FSCN1MEN1LMNAMAPTKMT2A
SCHEMBL29356245 0.78 RAB9A (0.46) FSCN1MEN1LMNAMAPTKMT2A
SCHEMBL29353742 0.78 SCD5 (0.58) ITKNAMPTSCD5FSCN1SCD
SCHEMBL21394983 0.78 SCD5 (0.58) ITKNAMPTSCD5FSCN1SCD
SCHEMBL22479453 0.77 RAB9A (0.51) FSCN1MEN1LMNAMAPTKMT2A
SCHEMBL21394773 0.76 RAB9A (0.44) MEN1LMNAMAPTKMT2ARAB9A
SCHEMBL29354631 0.76 RAB9A (0.44) MEN1LMNAMAPTKMT2ARAB9A

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 2 patents. 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
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed