SCHEMBL11211809

SCHEMBL11211809

Nc1ccc2nc(O)c(O)nc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
CACNA1B Q00975 2/20 0.37
APBA1 Q02410 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9534423 0.79 MAPT (0.39) MEN1NPC1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL11047993 0.78 MAPT (0.38) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL2865383 0.71 ACHE (0.46) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL11207252 0.71 ALDH1A1 (0.33) ALDH1A1CYP3A4THRBNQO2ACHE
SCHEMBL9669331 0.69 TYMS (0.45) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL27761307 0.67 NQO2 (0.48) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL12964174 0.66 KDM4E (0.42) ALDH1A1MAPTKMT2AKDM4ETP53
SCHEMBL5984487 0.66 ACHE (0.39) ALDH1A1MAPTRAB9AKMT2AKDM4E
SCHEMBL26130223 0.65 MAP4K4 (0.34) MEN1MAPTKMT2AIMPDH2BLM
SCHEMBL11472339 0.65 MAPT (0.53) MEN1NPC1ALDH1A1MAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010722-B1 MONOAZO-COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-20 EP disclosed
US-4312807-A HEAT RESISTANT PIGMENTS FOR POLYVINYL CHLORIDE AND POLYETHYLENE HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-26 US disclosed
EP-0010722-A1 Monoazo-compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-14 EP disclosed