SCHEMBL5428516

SCHEMBL5428516

CCOP(=O)(Cc1ccc(N/C=C2\C(=O)Nc3cc(-c4ccco4)ccc32)cc1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
TDP2 O95551 2/20 0.37
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
RECQL P46063 1/20 0.33
CSF1R P07333 1/20 0.32
NPY5R Q15761 1/20 0.32
TLK2 Q86UE8 2/20 0.32
FGFR1 P11362 2/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5171512 1.00 RET (0.38) RETTDP2KDM4EMAPTNPSR1
SCHEMBL5873886 0.84 CCNT1 (0.35) RETCCNT1CDK9NPY5RLCLAT1
SCHEMBL5873883 0.84 CCNT1 (0.35) RETCCNT1CDK9NPY5RLCLAT1
SCHEMBL5421335 0.81 RET (0.42) RETTDP2NPSR1CDK9CSF1R
SCHEMBL5873797 0.81 RET (0.42) RETTDP2NPSR1CDK9CSF1R
SCHEMBL5421327 0.81 RET (0.42) RETTDP2NPSR1CDK9CSF1R
SCHEMBL7703527 0.79 RET (0.46) RETTDP2MAPTCDK9CSF1R
SCHEMBL5432746 0.79 RET (0.46) RETTDP2CDK9CSF1RFGFR1
SCHEMBL5432741 0.79 RET (0.46) RETTDP2CDK9CSF1RFGFR1
SCHEMBL7703531 0.79 RET (0.46) RETTDP2MAPTCDK9CSF1R

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-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US claimed
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed