SCHEMBL5645014

SCHEMBL5645014

CC(=O)Nc1[c]cc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
DYRK1A Q13627 2/20 0.41
PDPK1 O15530 1/20 0.41
GAA P10253 3/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
IDO1 P14902 1/20 0.37
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL27971336 0.86 SMN1; SMN2 (0.44) MEN1KMT2APOLBDYRK1APDPK1
SCHEMBL3884988 0.81 ALDH1A1 (0.52) MEN1KMT2AGAAIDO1HSD17B10
SCHEMBL17748324 0.78 TDP1 (0.50) MEN1KMT2APOLBDYRK1AGAA
SCHEMBL3891134 0.78 SMN1; SMN2 (0.38) MEN1KMT2APOLBGAALMNA
SCHEMBL975122 0.78 ALDH1A1 (0.50) MEN1KMT2APOLBDYRK1AGAA
SCHEMBL11259370 0.77 PKM (0.42) MEN1KMT2AGAARAB9AHSD17B10
SCHEMBL1637554 0.77 PTK2 (0.44) MEN1KMT2ADYRK1AGAALMNA
SCHEMBL2748592 0.77 DYRK1A (0.44) DYRK1ALMNARAB9AADORA3IDO1
SCHEMBL17220427 0.74 NPC1 (0.43) MEN1KMT2ADYRK1AGAALMNA
SCHEMBL27971337 0.74 IDO1 (0.44) MEN1KMT2ARAB9AADORA3ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017189866-A1 POLYMYXIN ANALOGS USEFUL AS ANTIBIOTIC POTENTIATORS SPERO OPCO (US) 2017-11-02 WO claimed
US-7166592-B2 Antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-01-23 US claimed
WO-2017189866-A1 POLYMYXIN ANALOGS USEFUL AS ANTIBIOTIC POTENTIATORS SPERO OPCO (US) 2017-11-02 WO disclosed