SCHEMBL9260010

SCHEMBL9260010

CCC(=O)Oc1ccnc(CC)c1NC(=O)C1CC1C(=O)Nc1ccc(C=NN)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
TSHR P16473 2/20 0.31
RAB9A P51151 2/20 0.31
NAMPT P43490 3/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9260001 0.84 F2 (0.37) RAB9A
SCHEMBL9259956 0.78 LMNA (0.37) POLBRAB9ASMN1; SMN2
SCHEMBL7347372 0.71 RAB9A (0.37) POLBKMT2AMEN1TRPM8TSHR
SCHEMBL9440351 0.71 RAB9A (0.37) POLBKMT2ATSHRRAB9AALDH1A1
SCHEMBL6979118 0.70 ALDH1A1 (0.33) POLBKMT2AMEN1L3MBTL1TSHR
SCHEMBL6972945 0.70 PARP1 (0.49) POLBKMT2AMEN1L3MBTL1TSHR
SCHEMBL7420630 0.70 KMT2A (0.39) POLBKMT2AMEN1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL7351854 0.69 PARP1 (0.48) POLBKMT2AMEN1L3MBTL1TSHR
SCHEMBL9559149 0.67 LMNA (0.41) POLBKMT2AMEN1TSHRRAB9A
SCHEMBL9559156 0.67 MAPT (0.37) KMT2AMEN1L3MBTL1RAB9AALDH1A1

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-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed