SCHEMBL7684680

SCHEMBL7684680

COc1ccc(Nc2nc(C)cc(C)n2)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.70
▸ MAPT P10636 7/20 0.66
▸ HTT P42858 3/20 0.66
▸ LMNA P02545 4/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HPGD P15428 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CREBBP Q92793 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50

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
SCHEMBL13326003 0.83 GAA (0.94) GAAMAPTHTTLMNANPSR1
SCHEMBL10357803 0.77 GBA1 (0.77) GAAMAPTHTTLMNANPSR1
SCHEMBL10745289 0.76 KMT2A (0.52) GAAMAPTHTTLMNANPSR1
SCHEMBL7565070 0.76 MAPT (0.64) GAAMAPTLMNANPSR1KMT2A
SCHEMBL25773032 0.74 MAPT (0.59) GAAMAPTHTTLMNANPSR1
SCHEMBL17988269 0.74 NPSR1 (1.00) GAAMAPTHTTLMNANPSR1
SCHEMBL13621755 0.74 PTPN11 (0.53) GAAMAPTHTTLMNAKMT2A
SCHEMBL10785192 0.73 NPC1 (0.57) GAAMAPTLMNANPSR1KMT2A
SCHEMBL16750604 0.73 TTK (0.53) GAAMAPTHTTLMNANPSR1
SCHEMBL25284382 0.73 HPGD (0.51) GAAMAPTHTTLMNAKMT2A

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-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 — — US claimed
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