SCHEMBL7964635

SCHEMBL7964635

N#Cc1ccc(CCC(=O)N2CCCc3cc(C(=O)NCC(N)c4ccccc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
IDO1 P14902 2/20 0.42
KCNH2 Q12809 2/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
EP300 Q09472 7/20 0.41
HAT1 O14929 5/20 0.41
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM7 Q14831 1/20 0.39

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
SCHEMBL6984356 0.86 SMN1; SMN2 (0.53) TP53HDAC1HDAC8HDAC6EP300
SCHEMBL6984354 0.85 PTGER4 (0.49) TP53IDO1KCNH2HDAC1HDAC8
SCHEMBL6977738 0.84 TP53 (0.51) TP53IDO1KCNH2HDAC1HDAC8
SCHEMBL6979412 0.84 NAMPT (0.49) TP53HDAC1HDAC8HDAC6TSHR
SCHEMBL7085010 0.84 PTGER4 (0.44) EP300HAT1MEN1USP2ALDH1A1
SCHEMBL7085009 0.83 TP53 (0.49) TP53IDO1KCNH2HDAC1HDAC8
SCHEMBL6979408 0.82 TP53 (0.46) TP53IDO1KCNH2HDAC1HDAC8
SCHEMBL6977395 0.81 TP53 (0.46) TP53HDAC1HDAC8HDAC6MEN1
SCHEMBL6981022 0.81 TP53 (0.51) TP53IDO1KCNH2HDAC1HDAC8
SCHEMBL6983653 0.80 FPR1 (0.44) TP53EP300MEN1USP2ALDH1A1

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