SCHEMBL7872971

SCHEMBL7872971

COC(=O)Cn1cnc2c(N(c3ccc(OC)cc3)C(c3ccccc3)c3ccccc3)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
HPGD P15428 1/20 0.42
EGFR P00533 1/20 0.39
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7872825 0.92 FLT4 (0.47) FLT4KDRHPGDEGFRTAAR1
SCHEMBL9583392 0.82 HPGD (0.42) FLT4KDRHPGDKMT2ATAAR1
SCHEMBL9584577 0.82 HPGD (0.38) FLT4KDRHPGDKMT2ATAAR1
SCHEMBL7878996 0.81 FLT4 (0.34) FLT4KDRHPGDTAAR1
SCHEMBL7867772 0.81 HSP90AA1 (0.38) FLT4KDRHPGDKMT2A
SCHEMBL7879002 0.78 DOT1L (0.34) FLT4KDRHPGDKMT2ATP53
SCHEMBL9583154 0.78 HPGD (0.35) FLT4KDRHPGDTP53
SCHEMBL8150607 0.76 KMT2A (0.36) FLT4KDRHPGDKMT2ATP53
SCHEMBL9583074 0.76 HPGD (0.36) FLT4KDRHPGDEGFRTAAR1
SCHEMBL7872974 0.73 HDAC1 (0.47) FLT4KDRHPGDEGFRKMT2A

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