SCHEMBL11488043

SCHEMBL11488043

NC(C(=O)NCc1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
MMP2 P08253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPFFR1 Q9GZQ6 2/20 0.43
NPFFR2 Q9Y5X5 2/20 0.43
NPY1R P25929 2/20 0.43
NPY5R Q15761 1/20 0.43
POLB P06746 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
BACE1 P56817 2/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 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
Hydrochloric Acid SCHEMBL11480409 0.98 SLC7A5 (0.42) SLC7A5MMP2MEN1KMT2ANPFFR1
Hydrochloric Acid SCHEMBL11481383 0.87 ALDH1A1 (0.52) MEN1KMT2A
Hydrochloric Acid SCHEMBL21995166 0.83 KMT2A (0.58) MEN1KMT2APOLBBACE1BACE2
SCHEMBL9328613 0.81 ESR1 (0.42) MMP2MEN1KMT2AESR1ESR2
SCHEMBL9199910 0.81 CARM1 (0.56) ERCC1ERCC4
SCHEMBL9200501 0.81 CARM1 (0.56) ERCC1ERCC4
SCHEMBL4220537 0.81 KMT2A (0.55) MEN1KMT2APOLBBACE1BACE2
SCHEMBL10144788 0.79 CNR1 (0.45)
Hydrochloric Acid SCHEMBL4205714 0.79 KMT2A (0.54) MEN1KMT2APOLBBACE1BACE2
Hydrochloric Acid SCHEMBL4205709 0.79 KMT2A (0.54) MEN1KMT2APOLBBACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4218474-A FOR TREATING CARDIOVASCULAR DISORDERS; REDUCED BLOOD FLOW, OXYGEN AVAILABILITY, OR CARBOHYDRATE METABOLISM PFIZER INC. (US) 1980-08-19 US claimed
US-4218474-A FOR TREATING CARDIOVASCULAR DISORDERS; REDUCED BLOOD FLOW, OXYGEN AVAILABILITY, OR CARBOHYDRATE METABOLISM PFIZER INC. (US) 1980-08-19 US disclosed