SCHEMBL9632287

SCHEMBL9632287

C=CCNC(=N)Nc1nc(-c2c[nH]c(C)n2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PIK3CG P48736 1/20 0.39
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
GSTO1 P78417 6/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7398067 0.81 ATP4A (0.42) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8974700 0.80 ROCK1 (0.47) MAPTALDH1A1SMN1; SMN2HTTHSD17B10
Hydrochloric Acid SCHEMBL10340397 0.80 ATP4A (0.41) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL10590650 0.80 ATP4A (0.44) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL9788069 0.80 MEN1 (0.36) MAPTALDH1A1SMN1; SMN2HTTRAB9A
Hydrochloric Acid SCHEMBL10591848 0.79 ATP4A (0.43) MAPTALDH1A1RAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL10454848 0.79 ROCK1 (0.46) MAPTALDH1A1SMN1; SMN2HTTHSD17B10
Hydrochloric Acid SCHEMBL9366035 0.79 ATP4A (0.41) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL10591610 0.78 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2HTTHSD17B10
Zaltidine SCHEMBL3605309 0.77 ATP4A (0.39) ALDH1A1HSD17B10RAB9ANPC1MEN1

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
EP-0357192-B1 PROCESS FOR PREPARING SUBSTITUTED GUANYLTHIOUREAS PFIZER INC. (US) 1992-05-06 EP disclosed
EP-0357192-A1 Process for preparing substituted guanylthioureas PFIZER INC. (US) 1990-03-07 EP disclosed