SCHEMBL7597632

SCHEMBL7597632

COCCCNC(=O)OC1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 4/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
PDK2 Q15119 1/20 0.39
GAA P10253 2/20 0.38
NAMPT P43490 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
SCHEMBL7595652 0.87 PDK2 (0.41) PDK2
SCHEMBL7600360 0.86 LMNA (0.38) ALDH1A1SMN1; SMN2LMNAPDK2
SCHEMBL7600206 0.84 PDK2 (0.39) LMNAPDK2
SCHEMBL7599983 0.84 PDK2 (0.37) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL7595140 0.83 CA12 (0.42) KMT2AMEN1GAA
SCHEMBL6770912 0.81 MTTP (0.48) ALDH1A1POLBTDP1
SCHEMBL7612764 0.80 MAPT (0.38) ALDH1A1TDP1KMT2AMEN1PDK2
SCHEMBL7599929 0.80 TP53 (0.39) SMN1; SMN2HPGDKMT2AMEN1GAA
SCHEMBL7599607 0.79 NPC1 (0.46) ALDH1A1KDM4ELMNAHPGDKMT2A
SCHEMBL7596021 0.79 HDAC1 (0.45) ALDH1A1TDP1HPGDKMT2AHSD17B10

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-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed