SCHEMBL14458478

SCHEMBL14458478

Clc1cc(Cl)c(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.62
▸ CYP1A1 P04798 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP1B1 Q16678 2/20 0.61
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ KDM1A O60341 2/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAOA P21397 1/20 0.52
▸ NPY5R Q15761 1/20 0.51
▸ AMY1A P0DUB6 1/20 0.51

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
SCHEMBL1822777 0.87 ALOX5 (0.61) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL12298123 0.86 RAB9A (0.62) ALOX5CYP1A2MEN1KMT2ANPC1
SCHEMBL28340413 0.86 MEN1 (0.68) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL12298054 0.84 CYP1A1 (0.82) ALOX5CYP1A1CYP1A2CYP1B1SMN1; SMN2
SCHEMBL1820964 0.83 NPC1 (0.71) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL28340370 0.83 ALOX5 (0.69) ALOX5CYP1A1CYP1B1MEN1KMT2A
SCHEMBL12298188 0.83 VCP (0.58) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL12298371 0.81 KDM1A (0.53) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL12297672 0.80 ALOX5 (0.89) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL12298201 0.80 NPC1 (0.52) ALOX5CYP1A1CYP1A2CYP1B1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
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