SCHEMBL21394895

SCHEMBL21394895

CCS/C(=N\F)NC(=O)c1ccc(=O)n(CCF)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 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
SCHEMBL21394893 0.89 LMNA (0.39) LMNASAE1UBA2USP2THRB
SCHEMBL21395004 0.85 ALDH1A1 (0.45) LMNASAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL21383997 0.73 PTGER4 (0.41) LMNASAE1UBA2USP2THRB
SCHEMBL21384042 0.71 KMT2A (0.38) LMNASAE1UBA2USP2THRB
SCHEMBL21395278 0.65 RAB9A (0.41) ALDH1A1MAPTRAB9A
SCHEMBL21384216 0.63 LMNA (0.46) LMNASAE1UBA2ALDH1A1TSHR
SCHEMBL22479641 0.63 LMNA (0.50) LMNASAE1UBA2USP2THRB
SCHEMBL21395273 0.63 LMNA (0.47) LMNASAE1UBA2USP2THRB
SCHEMBL14074048 0.63 PTGS2 (0.38) LMNAALDH1A1MAPT
SCHEMBL21383972 0.62 PTGS2 (0.44) LMNASAE1UBA2USP2THRB

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