SCHEMBL14458583

SCHEMBL14458583

O=C(Cl)c1cccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.56
MAPT P10636 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
CSNK2A1 P68400 2/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL12298244 0.91 CSNK2A1 (0.62) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL14458550 0.89 CYP1A1 (0.59) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL10072680 0.85 MEN1 (0.61) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12298058 0.85 ALOX5 (0.64) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12298224 0.84 MEN1 (0.69) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12298079 0.83 CYP1A1 (0.63) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12298369 0.83 MEN1 (0.61) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12298132 0.82 CSNK2A1 (0.65) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL7119104 0.81 ALOX5 (0.60) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12297735 0.81 CYP1A1 (0.58) ALOX5MAPTMEN1KMT2ARAB9A

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