SCHEMBL11241752

SCHEMBL11241752

NC(Oc1ccccc1)C(O)CCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11230725 0.81 MAPT (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11231203 0.79 NPC1 (0.38) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11230239 0.79 ALDH1A1 (0.46) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11241745 0.78 MAPT (0.60) KAT2BNPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11226921 0.78 RAB9A (0.37) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11247369 0.78 ALDH1A1 (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11230532 0.76 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL9300696 0.76 KAT2B (0.60) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9300700 0.76 KAT2B (0.60) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7170020 0.75 KAT2B (0.81) KAT2BNPC1RAB9AMAPTSMN1; 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 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