SCHEMBL7830853

SCHEMBL7830853

Cc1cc(NCCc2ccccc2)n2nc(C(C)(C)C)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 8/20 0.46
POLB P06746 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 9/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AURKA O14965 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
LTK P29376 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL7831500 0.93 TUBB4A (0.48) F2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7827676 0.92 ALDH1A1 (0.47) F2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7827833 0.86 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7830946 0.86 TP53 (0.48) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7819234 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7833669 0.78 GSK3B (0.57) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7831493 0.77 CDK2 (0.54) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7819220 0.77 KDM4E (0.58) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7829401 0.77 AURKA (0.40) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7819484 0.75 TP53 (0.59) MEN1KMT2AALDH1A1KDM4EPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP claimed
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP disclosed