SCHEMBL6580579

SCHEMBL6580579

CN(c1ccc(C(=O)OC(C)(C)C)cc1)C1CCc2cc3nc(CN4CCCCC4)[nH]c(=O)c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MLLT1 Q03111 1/20 0.39
MAPT P10636 3/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PARP14 Q460N5 1/20 0.35

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
SCHEMBL6905953 0.89 SMN1; SMN2 (0.42) SMN1; SMN2POLBMLLT1MAPTATM
SCHEMBL6583698 0.88 PARP14 (0.35) MAPTHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL6585873 0.85 PARP14 (0.34) MAPTHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL6582509 0.85 HDAC6 (0.38) SMN1; SMN2POLBMAPTGAATHRB
SCHEMBL989396 0.77 TYMS (0.35) MAPTHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL989399 0.77 TYMS (0.35) MAPTHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL6585979 0.77 KDM4E (0.41) TNKSTNKS2KDM4EPARP14
SCHEMBL10209681 0.76 MEN1 (0.34) MAPTHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL988729 0.76 MEN1 (0.35) MAPTHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL988728 0.76 MEN1 (0.35) MAPTHSD17B10MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO disclosed