SCHEMBL6015809

SCHEMBL6015809

O=C1Nc2ccccc2S/C1=C\c1c[nH]c2cc(C(=O)NCCN3CCCC3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.64
MITF O75030 4/20 0.64
GSK3A P49840 2/20 0.64
GSK3B P49841 2/20 0.64
KDR P35968 2/20 0.57
RAD52 P43351 3/20 0.56
PAX8 Q06710 1/20 0.56
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
PIM1 P11309 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL6015821 1.00 KMT2A (0.64) KMT2AMITFGSK3AGSK3BKDR
SCHEMBL7677330 0.85 KDR (0.64) KMT2AMITFGSK3AGSK3BKDR
SCHEMBL6016071 0.80 KDR (0.55) KMT2AGSK3AGSK3BKDRCDK5
SCHEMBL6016074 0.80 KDR (0.55) KMT2AGSK3AGSK3BKDRCDK5
SCHEMBL6015653 0.74 KDR (0.73) KMT2AMITFGSK3AGSK3BKDR
SCHEMBL6015657 0.74 KDR (0.73) KMT2AMITFGSK3AGSK3BKDR
SCHEMBL6015983 0.73 KDR (0.59) KMT2AKDRCDK5PIM1NPC1
SCHEMBL6015991 0.73 KDR (0.59) KMT2AKDRCDK5PIM1NPC1
SCHEMBL6016042 0.69 KDR (0.51) KMT2AKDRCDK5NPC1RAB9A
SCHEMBL6016045 0.69 KDR (0.51) KMT2AKDRCDK5NPC1RAB9A

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-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed