SCHEMBL7973722

SCHEMBL7973722

Cc1ccc(-c2nn(C)c(-c3nc4ccc(N)cc4[nH]3)c2CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
RXFP1 Q9HBX9 3/20 0.50
CACNA1B Q00975 2/20 0.50
APBA1 Q02410 2/20 0.50
ALDH1A1 P00352 9/20 0.49
MAPT P10636 9/20 0.49
GAA P10253 9/20 0.49
KDM4E B2RXH2 8/20 0.49
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
POLB P06746 6/20 0.49
GLA P06280 4/20 0.49
GFER P55789 4/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
RECQL P46063 3/20 0.49
HPGD P15428 7/20 0.48
HSD17B10 Q99714 3/20 0.48
BLM P54132 4/20 0.47
USP2 O75604 3/20 0.47

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
SCHEMBL10140073 0.85 PTGDR2 (0.49) POLBSMN1; SMN2CHEK2F9F10
SCHEMBL10140083 0.77 F10 (0.60) CHEK2F9F10F11
SCHEMBL7960334 0.77 MEN1 (0.62) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL10139885 0.76 MAPT (0.60) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL7970550 0.74 F9 (0.46) CHEK2NT5EF9F10F11
SCHEMBL10139891 0.71 CHEK2 (0.69) CHEK2F9F10F11
SCHEMBL7969006 0.71 NPBWR1 (0.42) CHEK2NT5EF9F10F11
SCHEMBL10140814 0.70 PKN1 (0.50) CHEK2F9F10F11
SCHEMBL2251258 0.69 MEN1 (1.00) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL10139808 0.69 P2RY6 (0.53) ALDH1A1MAPTGAAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed