SCHEMBL7401067

SCHEMBL7401067

CC(C)(C)C(C(=O)O)n1ccn(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM1 Q13255 2/20 0.35
CYP11B2 P19099 4/20 0.34
SLC22A12 Q96S37 2/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ELANE P08246 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL8539205 0.79
SCHEMBL7403444 0.79 ITGB3 (0.39)
SCHEMBL7397315 0.71 PPARG (0.39) MEN1KMT2ASLC22A12MMP2MMP9
SCHEMBL2414232 0.70 CCR9 (0.39) TSHRCYP11B2POLBKDM4E
SCHEMBL7272534 0.63 HDAC2 (0.49) MAPTGAAKDM4EL3MBTL1
SCHEMBL7281223 0.63 CYP11B1 (0.51) PKMMAPTMEN1KMT2ACYP11B2
SCHEMBL7272529 0.63 HDAC2 (0.49) MAPTGAAKDM4EL3MBTL1
SCHEMBL11394090 0.63 PARP15 (0.42) PKMMAPTMEN1KMT2AGRM1
SCHEMBL19651232 0.62 NR4A1 (0.42) PKMGRM1CYP11B2SLC22A12GAA
SCHEMBL30509596 0.61 KIF11 (0.47) TSHRCYP11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed