SCHEMBL6971401

SCHEMBL6971401

[CH2]NC(=O)c1cccc2nnsc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39
THRB P10828 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MLLT1 Q03111 1/20 0.33
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL4031502 0.84 GAA (0.44) MAPTSMN1; SMN2TP53THRBMEN1
SCHEMBL6971403 0.84 THRB (0.51) MAPTSMN1; SMN2TP53THRBNPC1
SCHEMBL9087580 0.80 LMNA (0.51) MAPTSMN1; SMN2TP53MEN1KMT2A
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL7555956 0.78 MAPT (0.39) MAPTSMN1; SMN2TP53THRBMEN1
SCHEMBL3743974 0.78 PARP1 (0.40) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL73948 0.78 MAPT (0.36) MAPTSMN1; SMN2TP53THRBMEN1
SCHEMBL8051642 0.78 MAPT (0.45) MAPTSMN1; SMN2TP53THRBMEN1
SCHEMBL9087330 0.78 GAA (0.49) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL6964915 0.77 MAPT (0.35) MAPTSMN1; SMN2TP53THRBMEN1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed