SCHEMBL3912903

SCHEMBL3912903

COc1cc(Cl)cc(C(=O)Cc2ccnc(SC)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
F2R P25116 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
DDR1 Q08345 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRK6 P43250 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL987167 0.87 MEN1 (0.38) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3919321 0.84 SHMT1 (0.36) MAPTMEN1KMT2AHTTGAA
SCHEMBL4408276 0.83 MAPT (0.48) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3063975 0.81 MEN1 (0.42) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4420456 0.80 NPC1 (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5605441 0.80 PDE4D (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2254883 0.79 KDM4E (0.41) MAPTMEN1KMT2AHTTGAA
SCHEMBL14467319 0.77 HDAC3 (0.44) GAAALDH1A1NPC1RAB9AKDM4E
SCHEMBL5604731 0.77 MAOB (0.56) MEN1KMT2A
SCHEMBL5604633 0.77 SMPD1 (0.53) MAPTALDH1A1SMN1; SMN2POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed