SCHEMBL11596702

SCHEMBL11596702

Oc1ccccc1CNc1ccc(Oc2ccc(NCc3ccccc3O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
RAB9A P51151 3/20 0.69
HTT P42858 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CA12 O43570 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 2/20 0.59
HIF1A Q16665 2/20 0.59
CA1 P00915 1/20 0.59
APP P05067 1/20 0.59
HPGD P15428 3/20 0.53
NOX4 Q9NPH5 2/20 0.53
EGFR P00533 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
MAOB P27338 3/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL11593766 0.89 MAPT (0.81) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL27769271 0.86 MAPT (0.68) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL10781073 0.83 MAPT (0.73) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL30208389 0.83 HIF1A (0.74) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL802584 0.83 HIF1A (0.74) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL28911913 0.81 HIF1A (0.72) MAPTRAB9AHTTMEN1KMT2A
Bromide SCHEMBL27616592 0.81 HIF1A (0.72) MAPTRAB9AHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL11833104 0.81 HIF1A (0.72) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL11594145 0.80 MAPT (0.69) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL802037 0.80 MAPT (1.00) MAPTRAB9AHTTMEN1KMT2A

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
US-4129556-A N,N'-BIS-(2-HYDROXYBENZYL)-ALKYLENE-DIAMINES, N,N'-BIS-(2-HYDROXYBENZYL)-ARYLENE-DIAMINES CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed