SCHEMBL14964493

SCHEMBL14964493

CC(OC(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GPR174 Q9BXC1 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
SCHEMBL20590966 0.88 KMT2A (0.46) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL3331690 0.81 KDM4E (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL27889264 0.78 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL5583400 0.78 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTTDP1
SCHEMBL12016607 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL13347474 0.76 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMAPTTDP1
SCHEMBL4361293 0.76 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTL3MBTL1
SCHEMBL5052181 0.76 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTTDP1
SCHEMBL29573208 0.76 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTTDP1
SCHEMBL542086 0.76 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTKMT2A

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-20130126860-A1 THIN FILM TRANSISTOR SUBSTRATE DAI NIPPON PRINTING CO., LTD. (JP) 2013-05-23 — — US disclosed
US-20130126860-A1 THIN FILM TRANSISTOR SUBSTRATE DAI NIPPON PRINTING CO., LTD. (JP) 2013-05-23 — — US disclosed
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