SCHEMBL6970818

SCHEMBL6970818

CNC(=S)c1cccc(CN(C(C)=S)c2c(C)nn(-c3ccccc3)c2C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
KLK6 Q92876 1/20 0.35
P2RX7 Q99572 2/20 0.34
PDE4D Q08499 1/20 0.34
HPGD P15428 2/20 0.34
ESR2 Q92731 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
SCHEMBL6964956 0.80 L3MBTL1 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6970481 0.79 MEN1 (0.39) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6966662 0.71 NPSR1 (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL8292304 0.63 KAT6A (0.42) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14495384 0.60 KDM4C (0.62) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2453964 0.60 SMN1; SMN2 (0.66) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL20037334 0.59 PDE4D (0.56) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1379363 0.59 NPC1 (0.52) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL20037217 0.59 MEN1 (0.60) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL7501911 0.58 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9ALMNA

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