SCHEMBL6978698

SCHEMBL6978698

Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.47
MMP1 P03956 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6983535 0.87 TP53 (0.44) POLBTP53MMP1LMNASMN1; SMN2
SCHEMBL7948557 0.86 TP53 (0.45) POLBTP53MMP1SMN1; SMN2HDAC1
SCHEMBL6977738 0.85 TP53 (0.51) POLBTP53SMN1; SMN2HDAC1HDAC8
SCHEMBL6984356 0.83 SMN1; SMN2 (0.53) TP53SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL6985377 0.82 RAB9A (0.62) POLBTP53LMNAHTTSMN1; SMN2
SCHEMBL6984354 0.82 PTGER4 (0.49) TP53LMNAHDAC1HDAC8HDAC6
SCHEMBL6985246 0.82 TP53 (0.51) TP53LMNASMN1; SMN2HDAC1HDAC8
SCHEMBL6977395 0.82 TP53 (0.46) TP53LMNAHTTSMN1; SMN2HDAC1
SCHEMBL6979412 0.81 NAMPT (0.49) TP53SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL7085009 0.80 TP53 (0.49) TP53SMN1; SMN2HDAC1HDAC8HDAC6

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed