SCHEMBL11230239

SCHEMBL11230239

NC(Oc1ccccc1)C(O)CCCNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 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 SCHEMBL11247369 0.99 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
SCHEMBL11230725 0.88 MAPT (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL11237839 0.83 MAPT (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL11236943 0.82 MAPT (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11234640 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL11230532 0.81 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11230236 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
SCHEMBL11246095 0.79 RAB9A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11247363 0.79 ADRB1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
SCHEMBL11241752 0.79 KAT2B (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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