SCHEMBL4753442

SCHEMBL4753442

O=C(O)N1CCNC(CCn2ncc3ccccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
P2RX7 Q99572 1/20 0.39
DAO P14920 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
REN P00797 2/20 0.39
ADRA2A P08913 1/20 0.38
MAPT P10636 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 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
SCHEMBL4290999 1.00 KMO (0.50) KMOPOLBHSD17B10RECQLL3MBTL1
SCHEMBL4294395 0.94 KMO (0.48) KMOPOLBHSD17B10RECQLL3MBTL1
SCHEMBL4295031 0.89 KMO (0.46) KMOPOLBHSD17B10RECQLL3MBTL1
SCHEMBL13705141 0.86 POLB (0.45) KMOPOLBHSD17B10RECQLL3MBTL1
SCHEMBL13705177 0.80 POLB (0.46) KMOPOLBHSD17B10TSHRNPSR1
SCHEMBL4287498 0.80 EGLN3 (0.50) POLBHSD17B10TSHRNPC1RAB9A
SCHEMBL4289440 0.79 CYP11B2 (0.37) RENKDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4293143 0.79 LMNA (0.43) HSD17B10TSHRSMN1; SMN2KMT2A
SCHEMBL4285897 0.79 KMO (0.51) KMOPOLBHSD17B10RECQLL3MBTL1
Hydrochloric Acid SCHEMBL4292429 0.79 LMNA (0.43) HSD17B10TSHRSMN1; SMN2KMT2A

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed