SCHEMBL8946435

SCHEMBL8946435

CC(=O)N1c2ccc([N+](=O)[O-])cc2C2Cc3ccccc3C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SNCA P37840 1/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
CREBBP Q92793 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
WDR5 P61964 1/20 0.40
HTT P42858 3/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NOTUM Q6P988 1/20 0.39
PKM P14618 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38

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
SCHEMBL8946666 0.85 MAPT (0.49) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL8946659 0.85 MAPT (0.49) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL8946662 0.85 MAPT (0.49) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL8946434 0.81 HSD17B3 (0.44) MAPTLMNAALDH1A1CREBBPHTT
SCHEMBL8946587 0.78 KDM4E (0.49) MAPTKDM4EALDH1A1CREBBPPOLB
SCHEMBL8946786 0.76 CREBBP (0.40) MAPTLMNAALDH1A1GAACREBBP
SCHEMBL7416582 0.70 KDM4E (0.67) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL5798736 0.70 MAPT (0.67) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL16135452 0.68 MAPT (0.51) MAPTKDM4ESNCALMNAALDH1A1
SCHEMBL6971552 0.68 MAPT (0.51) MAPTKDM4ESNCALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed