SCHEMBL10511566

SCHEMBL10511566

CN(C)CCc1nc2cc([N+](=O)[O-])ccc2c2nc3ccccc3n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ RXFP1 Q9HBX9 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PKM P14618 2/20 0.39
▸ SMARCA2 P51531 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TERT O14746 1/20 0.39

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
SCHEMBL10513439 0.94 MAPT (0.46) MAPTRXFP1HTTALDH1A1KMT2A
SCHEMBL10483334 0.82 KDM4E (0.68) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10510883 0.81 KDM4E (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10511756 0.78 RAB9A (0.47) MAPTRXFP1HTTALDH1A1KMT2A
SCHEMBL10513759 0.75 MAPT (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10512800 0.69 KDM4E (0.71) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL7638112 0.69 MAPT (0.66) MAPTRXFP1HTTKMT2AMEN1
SCHEMBL28574640 0.68 KDM4E (0.78) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL7745218 0.67 MAPT (0.52) MAPTRXFP1HTTKMT2AMEN1
SCHEMBL14760445 0.65 KDM4E (0.72) MAPTALDH1A1KMT2AMEN1KDM4E

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
EP-0331093-A1 Benzimidazo[1,2-c]quinazolines, their preparation and use KNOLL AG (DE) 1989-09-06 — — EP disclosed
Send feedback