SCHEMBL29956983

SCHEMBL29956983

O=Cc1cccnc1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
PPIA P62937 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
MGLL Q99685 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
NAMPT P43490 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL29952615 0.84 POLB (0.56) POLBPPIANPC1RAB9ASMN1; SMN2
SCHEMBL2211898 0.82 CYP1A2 (0.48) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29956252 0.80 POLB (0.51) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29950689 0.79 NPC1 (0.64) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28110815 0.77 TRIM24 (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL18640773 0.77 POLB (0.65) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3713256 0.77 TRIM24 (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4138173 0.77 ALDH1A1 (0.44) POLBPPIANPC1RAB9ASMN1; SMN2
SCHEMBL29957414 0.75 POLB (0.59) POLBNPC1RAB9ALMNANAMPT
SCHEMBL29950651 0.75 POLB (0.59) POLBNPC1RAB9ALMNANAMPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed