SCHEMBL10513439

SCHEMBL10513439

CN(C)CCCc1nc2cc([N+](=O)[O-])ccc2c2nc3ccccc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ RXFP1 Q9HBX9 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ TERT O14746 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PKM P14618 2/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL10511566 0.94 MAPT (0.47) MAPTRXFP1HTTKMT2AALDH1A1
SCHEMBL10511756 0.76 RAB9A (0.47) MAPTRXFP1HTTKMT2AALDH1A1
SCHEMBL10510883 0.76 KDM4E (0.51) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL10483334 0.75 KDM4E (0.68) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL10513759 0.69 MAPT (0.51) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL14760445 0.68 KDM4E (0.72) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL10512800 0.68 KDM4E (0.71) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL7638112 0.68 MAPT (0.66) MAPTRXFP1HTTKMT2AMEN1
SCHEMBL28574640 0.67 KDM4E (0.78) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL7745218 0.65 MAPT (0.52) MAPTRXFP1HTTKMT2AMEN1

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
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