SCHEMBL28534847

SCHEMBL28534847

N=[N+]=N.O=C1CCCCC1C=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.37
KDM1A O60341 2/20 0.37
HSP90AA1 P07900 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17439629 0.94 MCL1 (0.38) MCL1MAPTALDH1A1LMNAKDM4E
SCHEMBL487348 0.94 MCL1 (0.44) MCL1MAPTALDH1A1LMNAKDM4E
SCHEMBL17439628 0.91 MCL1 (0.40) MCL1MAPTALDH1A1LMNAKDM4E
Ethoxycarbonyl Group SCHEMBL27635081 0.75 KDM4E (0.38) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL8530826 0.73 FBP1 (0.45)
SCHEMBL28442251 0.73 LMNA (0.49) MAPTALDH1A1LMNAKDM1AMAPK1
SCHEMBL5413534 0.71 LMNA (0.39) MAPTALDH1A1LMNAHPGDKDM1A
SCHEMBL10776462 0.69 LMNA (0.41) MAPTALDH1A1LMNAHPGDKDM1A
SCHEMBL18365438 0.68
SCHEMBL10406119 0.68 GSTP1 (0.48) MCL1MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112470254-A Method for producing molded article, resist for co-molding in imprint-electron lithography, method for producing replica mold, method for producing device, and imprint material 学校法人东京理科大学 2021-03-09 CN disclosed