SCHEMBL19664249

SCHEMBL19664249

Nc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ GPR119 Q8TDV5 3/20 0.50
▸ MAP4K4 O95819 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ MINK1 Q8N4C8 1/20 0.49
▸ TNIK Q9UKE5 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46

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
SCHEMBL2242348 0.89 KDM4E (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1734922 0.81 KDM4E (0.61) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17199120 0.80 NPC1 (0.81) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10590678 0.79 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30727500 0.79 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21566015 0.78 APP (0.63) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25625024 0.78 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3187059 0.78 ESR1 (0.68) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5595554 0.77 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2244352 0.77 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 — — EP disclosed
Send feedback