SCHEMBL7872825

SCHEMBL7872825

COc1ccc(N(c2ncnc3c2ncn3CC(=O)O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
HPGD P15428 1/20 0.44
PTGS2 P35354 1/20 0.43
EGFR P00533 2/20 0.40
NSD3 Q9BZ95 1/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7872971 0.92 FLT4 (0.45) FLT4KDRHPGDEGFRNSD3
SCHEMBL9583392 0.84 HPGD (0.42) FLT4KDRHPGDNSD3TP53
SCHEMBL9584577 0.83 HPGD (0.38) FLT4KDRHPGDNSD3TP53
SCHEMBL7867928 0.81 PTGS2 (0.41) FLT4KDRHPGDPTGS2
SCHEMBL9583154 0.78 HPGD (0.35) FLT4KDRHPGDTP53
SCHEMBL7878996 0.78 FLT4 (0.34) FLT4KDRHPGDTAAR1ADORA2A
SCHEMBL8150607 0.77 KMT2A (0.36) FLT4KDRHPGDTP53
SCHEMBL9583074 0.77 HPGD (0.36) FLT4KDRHPGDEGFRNSD3
SCHEMBL7879002 0.75 DOT1L (0.34) FLT4KDRHPGDTP53
SCHEMBL30089853 0.73 FLT4 (0.43) FLT4KDREGFR

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
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed