SCHEMBL6985381

SCHEMBL6985381

N#Cc1ccc(CCC(=O)N2CCCc3cccc(NC(=O)c4ccccc4)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
ATM Q13315 1/20 0.45
NR3C1 P04150 1/20 0.43
AR P10275 1/20 0.43
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PTGER4 P35408 1/20 0.41
RAB9A P51151 1/20 0.40
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
KDM1A O60341 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 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
SCHEMBL6984787 0.89 ATM (0.48) ATMKMT2AHDAC1HDAC6RAB9A
SCHEMBL6986817 0.88 THRB (0.42) ATMKMT2AHDAC1HDAC8HDAC6
SCHEMBL6977743 0.86 PTGER4 (0.46) NR3C1ARKMT2AHDAC1HDAC8
SCHEMBL6980994 0.86 RXRA (0.43) ATMKMT2AHDAC6PTGER4RAB9A
SCHEMBL6986437 0.85 PTGER4 (0.41) ATMKMT2AHDAC1HDAC8HDAC6
SCHEMBL6984462 0.85 ATM (0.41) ATMKMT2AHDAC1HDAC8HDAC6
SCHEMBL6977399 0.84 PTGER4 (0.42) NR3C1ARKMT2APTGER4RAB9A
SCHEMBL6977736 0.84 CHRM3 (0.40) ATMKMT2APTGER4RAB9AFPR1
SCHEMBL6985322 0.84 GAA (0.41) NR3C1ARKMT2AHDAC1HDAC8
SCHEMBL6985566 0.84 PARP14 (0.40) ATMNR3C1ARKMT2APTGER4

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