SCHEMBL11230723

SCHEMBL11230723

NC(CCNc1ccc([N+](=O)[O-])cc1)C(O)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
ALDH1A1 P00352 5/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 8/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ABCB1 P08183 2/20 0.42
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL11230236 0.88 ALDH1A1 (0.50) MEN1KMT2AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11247363 0.87 ADRB1 (0.50) MEN1KMT2AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11230529 0.84 MAPT (0.50) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL11233872 0.82 MAPT (0.45) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL11237785 0.82 SCN4A (0.46) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL11241745 0.82 MAPT (0.60) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL11240121 0.81 CASR (0.48) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL11230720 0.78 ADRB1 (0.67) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL11230725 0.78 MAPT (0.48) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL11237823 0.76 MAPT (0.42) MEN1KMT2AADRB2ADRB1ADRB3

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-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US disclosed