SCHEMBL29952615

SCHEMBL29952615

O=Cc1nccnc1NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MGLL Q99685 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.45
ROCK2 O75116 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 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
SCHEMBL29956983 0.84 POLB (0.53) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL29956252 0.77 POLB (0.51) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL23608334 0.77 POLB (0.51) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL31307412 0.77 POLB (0.51) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL18640773 0.76 POLB (0.65) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL13156057 0.75 POLB (0.59) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL2553202 0.75 POLB (0.52) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL29186978 0.75 POLB (0.63) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL2036049 0.75 POLB (0.52) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL27449720 0.75 NPC1 (0.49) POLBNPC1RAB9AMGLLSMN1; SMN2

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