SCHEMBL8345831

SCHEMBL8345831

Cc1nc(-c2sc(-c3ccc(Cl)cc3)nc2C)sc1C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.86
SMN1; SMN2 Q16637 7/20 0.86
NPC1 O15118 4/20 0.86
KDM4E B2RXH2 2/20 0.86
POLB P06746 1/20 0.86
GAA P10253 2/20 0.67
XDH P47989 1/20 0.66
MAPT P10636 9/20 0.61
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
LMNA P02545 1/20 0.54
TARBP2 Q15633 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL2069278 0.93 RAB9A (1.00) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL289554 0.87 SMN1; SMN2 (0.85) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL8343603 0.85 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL12475206 0.81 SMN1; SMN2 (0.77) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL1574466 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL892234 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL8868337 0.80 RAB9A (0.74) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL8866993 0.80 XDH (1.00) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL8341784 0.80 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL3844047 0.80 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2NPC1KDM4EPOLB

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
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO disclosed