SCHEMBL10522147

SCHEMBL10522147

N#Cc1ccc(NC(=N)NCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
NLRP3 Q96P20 1/20 0.47
EGLN1 Q9GZT9 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
IL18 Q14116 1/20 0.46
ALDH1A1 P00352 1/20 0.44
FLT1 P17948 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL10520817 0.85 SAE1 (0.48) SAE1UBA2MAPTLMNAHTT
SCHEMBL11787774 0.80 ABAT (0.62) TSHRKMT2APOLBABAT
SCHEMBL10668018 0.79 IDO1 (0.55) SAE1UBA2MAPTLMNAHTT
SCHEMBL10453640 0.79 SAE1 (0.48) SAE1UBA2MAPTLMNAHTT
SCHEMBL25840795 0.79 ALDH1A1 (0.62) MAPTMEN1KMT2APOLBRAB9A
SCHEMBL10452549 0.78 EGLN1 (0.47) SAE1UBA2MAPTLMNAHTT
SCHEMBL361315 0.76 ALDH1A1 (0.50) SAE1UBA2MAPTLMNAHTT
SCHEMBL23328671 0.75 EPHX2 (0.54) LMNAHTTMEN1KMT2APOLB
SCHEMBL841012 0.75 SAE1 (0.57) SAE1UBA2MAPTLMNAHTT
SCHEMBL3600204 0.74 MAPT (0.61) SAE1UBA2MAPTLMNAHTT

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-4877895-A DIETETICS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1989-10-31 US disclosed