SCHEMBL22247229

SCHEMBL22247229

CC(=O)Cn1cc(C(C)=O)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
SRC P12931 2/20 0.40
MAPK1 P28482 2/20 0.39
SMYD3 Q9H7B4 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD O00767 1/20 0.36
CA5A P35218 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TGM2 P21980 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL24621692 0.82 TSHR (0.40) GLASRCMAPK1SMYD3LMNA
SCHEMBL15223688 0.79 L3MBTL1 (0.42) GLALMNAALDH1A1SCDCA5A
SCHEMBL11910527 0.78 SRC (0.41) GLASRCMAPK1LMNAALDH1A1
SCHEMBL17625591 0.78 CA5A (0.41) GLASMYD3LMNAALDH1A1SCD
SCHEMBL15495572 0.77 SRC (0.36) GLASRCMAPK1SMYD3LMNA
SCHEMBL18235987 0.76 POLB (0.38) GLASRCMAPK1LMNAALDH1A1
SCHEMBL17427978 0.75 DPP4 (0.44) LMNAALDH1A1
SCHEMBL8931483 0.74 HRH4 (0.41) GLASRCLMNAALDH1A1TSHR
SCHEMBL15257805 0.74 MAOA (0.43) SRCALDH1A1KMT2APOLB
SCHEMBL16891850 0.74 POLB (0.38) SRCLMNAALDH1A1TSHRKMT2A

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-2020150263-A1 SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY MAGNANI JOHN L (US) 2020-07-23 WO disclosed