SCHEMBL18758129

SCHEMBL18758129

O=C(NCCN1CCNC1=O)c1ccc(/C=[N+](\O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CREBBP Q92793 1/20 0.46
▸ HPGDS O60760 1/20 0.45
▸ GABRA5 P31644 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ POLR1A O95602 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ PLD2 O14939 1/20 0.38
▸ PLD1 Q13393 1/20 0.38
▸ GAA P10253 1/20 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
SCHEMBL15136263 0.89 KMT2A (0.59) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL10031654 0.89 KMT2A (0.59) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL1402380 0.83 RAB9A (0.76) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL367407 0.81 KMT2A (0.73) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL18740419 0.80 RAB9A (0.61) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL18740416 0.80 RAB9A (0.61) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL18758193 0.77 KMT2A (0.67) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL14817956 0.76 KMT2A (0.76) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL13211934 0.76 KMT2A (1.00) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL31288020 0.76 RAB9A (0.64) KMT2ARAB9AKDM4EALDH1A1LMNA

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
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 — — EP disclosed
WO-2017064296-A1 METHOD FOR SYNTHESISING AROMATIC NITRONES ARKEMA FRANCE (FR) 2017-04-20 — — WO disclosed
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