SCHEMBL7948557

SCHEMBL7948557

CC(=O)NCCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.42
MMP1 P03956 1/20 0.41
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NR3C1 P04150 1/20 0.39
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 1/20 0.38
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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) TP53POLBMMP1KMT2AHDAC1
SCHEMBL6978698 0.86 POLB (0.49) TP53POLBMMP1KMT2AHDAC1
SCHEMBL6984356 0.84 SMN1; SMN2 (0.53) TP53HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL6984198 0.81 TP53 (0.44) TP53KMT2AHDAC1HDAC8HDAC6
SCHEMBL6977738 0.80 TP53 (0.51) TP53POLBKMT2AHDAC1HDAC8
SCHEMBL7948560 0.80 TP53 (0.43) TP53KMT2AHDAC1HDAC8HDAC6
SCHEMBL6979412 0.80 NAMPT (0.49) TP53HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL7085009 0.79 TP53 (0.49) TP53HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL6981022 0.79 TP53 (0.51) TP53POLBHDAC1HDAC8HDAC6
SCHEMBL6985377 0.78 RAB9A (0.62) TP53POLBHDAC1HDAC8HDAC6

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
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed