SCHEMBL11577876

SCHEMBL11577876

Nc1cc(Oc2ccccc2)ccc1NC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAOB P27338 2/20 0.44
MAOA P21397 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NR4A1 P22736 1/20 0.41
ADRB2 P07550 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NLRP3 Q96P20 1/20 0.41
AKR1C3 P42330 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL11578105 0.87 TSHR (0.54) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL30166972 0.78 MAOB (0.48) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL3015197 0.78 MAOB (0.48) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL10945153 0.78 NR4A1 (0.48) TSHRMEN1KMT2AMAPTSMN1; SMN2
Hydrazine SCHEMBL2891714 0.75 MAOB (0.46) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL4029580 0.75 ALDH1A1 (0.47) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL10866211 0.75 ALDH1A1 (0.50) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL11645362 0.75 MTNR1A (0.51) SMN1; SMN2ALDH1A1GAANPC1AKR1C3
SCHEMBL14428178 0.75 KMT2A (0.50) TSHRMAOBMAOAMEN1KMT2A
SCHEMBL4674459 0.73 ALDH1A1 (0.64) TSHRMEN1KMT2AMAPTSMN1; 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-4127670-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-11-28 US disclosed