SCHEMBL5323322

SCHEMBL5323322

CC(C=O)(Cc1ccc(F)cc1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
FKBP1A P62942 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AKR1C3 P42330 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL28411123 0.87 AKR1C3 (0.43) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL377702 0.86 SIGMAR1 (0.37) SMN1; SMN2NPC1ALDH1A1RAB9ASIGMAR1
SCHEMBL10526749 0.86 SIGMAR1 (0.37) SMN1; SMN2NPC1ALDH1A1RAB9ASIGMAR1
SCHEMBL12613218 0.85 ALDH1A1 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1SIGMAR1
SCHEMBL80420 0.84 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL20723880 0.84 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL28260274 0.83 MAPT (0.47) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL29256744 0.81 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL8518244 0.81 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL8735163 0.78 ALDH1A1 (0.46) SMN1; SMN2NPC1ALDH1A1RAB9AMAPK1

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-2007113833-A2 MINIMALLY INVASIVE SYSTEM FOR TREATING HOLLOW ORGAN DILATATION CAHAN AMOS (IL) 2007-10-11 WO disclosed