SCHEMBL8345836

SCHEMBL8345836

CCOC(=O)c1sc(-c2ccc(C#N)cc2)nc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
TRPM8 Q7Z2W7 5/20 0.53
CDC7 O00311 9/20 0.49
DBF4 Q9UBU7 9/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PTPN11 Q06124 1/20 0.47
P2RY12 Q9H244 1/20 0.44

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
SCHEMBL8341363 0.86 MAPT (0.78) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL10064831 0.85 MAPT (0.62) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL8344773 0.85 TRPM8 (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL24303679 0.85 MAPT (0.62) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL5899899 0.84 CDC7 (0.68) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL5641718 0.84 CDC7 (0.68) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL17291419 0.83 CDC7 (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL5937216 0.82 PTPN11 (0.58) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL8338965 0.82 SMN1; SMN2 (0.45) KDM4ECDC7DBF4FNTAFNTB
SCHEMBL5937223 0.81 PTPN11 (0.53) MAPTMEN1KMT2AKDM4EHSP90AA1

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