SCHEMBL7471190

SCHEMBL7471190

CCC(C)NC(=O)c1c[c]ccc1N(N)c1cccc(C(=O)NCC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.41
ACACB O00763 2/20 0.39
MEN1 O00255 4/20 0.37
F3 P13726 3/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34

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
SCHEMBL7471186 0.82 KMT2A (0.47) KMT2AGAAHSD17B10ATMACACB
SCHEMBL6876523 0.80 L3MBTL1 (0.40) GAAATMACACBKDM4EHPGD
SCHEMBL6762666 0.77 ALDH1A1 (0.34) KMT2AGAAHSD17B10MEN1KDM4E
SCHEMBL6757871 0.69 SMN1; SMN2 (0.38) KMT2AGAAHSD17B10MEN1KDM4E
SCHEMBL6760029 0.69 RAB9A (0.40) KMT2AGAAHSD17B10MEN1KDM4E
SCHEMBL159472 0.67 KMT2A (0.63) KMT2AGAAHSD17B10ATMACACB
SCHEMBL27727377 0.65 GAA (0.87) KMT2AGAAHSD17B10ATMACACB
SCHEMBL31055430 0.64 KMT2A (0.78) KMT2AGAAHSD17B10ATMMEN1
SCHEMBL7090374 0.64 GAA (0.78) KMT2AGAAHSD17B10ATMACACB
SCHEMBL6876519 0.64 L3MBTL1 (0.44) KMT2AGAAHSD17B10ATMKDM4E

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-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed