SCHEMBL6833378

SCHEMBL6833378

NC(=S)Nc1ccc(F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.48
ALOX15 P16050 6/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43
PYGL P06737 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4196937 0.85 IDO1 (0.46) POLBKMT2AALDH1A1MAPTNPC1
SCHEMBL20560246 0.83 POLB (0.52) POLBKMT2AALOX15ALDH1A1MAPT
SCHEMBL4491417 0.81 KMT2A (0.48) POLBKMT2AALOX15MAPTPYGL
SCHEMBL140667 0.81 LMNA (0.53) KMT2AALDH1A1MAPTNPC1
SCHEMBL29639366 0.81 LMNA (0.53) KMT2AALDH1A1MAPTNPC1
SCHEMBL653172 0.81 ALDH1A1 (0.61) KMT2AALDH1A1MAPTNPC1NPSR1
SCHEMBL29639365 0.81 ALDH1A1 (0.61) KMT2AALDH1A1MAPTNPC1NPSR1
SCHEMBL11880754 0.79 ALOX15 (0.47) POLBKMT2AALOX15MAPTPYGL
SCHEMBL5525050 0.78 SIGMAR1 (0.50) POLBKMT2AALDH1A1MAPT
SCHEMBL11164506 0.78 RAB9A (0.51) POLBKMT2AALDH1A1MAPTNPC1

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-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 WO disclosed