SCHEMBL7596873

SCHEMBL7596873

O=C(NCc1cccs1)OC1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7599929 0.83 TP53 (0.39) HPGDGAAKMT2AMEN1SMN1; SMN2
SCHEMBL7599268 0.81 SMN1; SMN2 (0.46) HPGDLMNAPOLBKMT2AMEN1
SCHEMBL7596777 0.81 HTT (0.41) LMNAPOLBALDH1A1GAAKDM4E
SCHEMBL6771133 0.81 HPGD (0.47) HPGDLMNAUSP2POLBALDH1A1
SCHEMBL7600206 0.80 PDK2 (0.39) LMNA
SCHEMBL7596505 0.79 POLB (0.41) HPGDLMNAPOLBALDH1A1GAA
SCHEMBL7595652 0.78 PDK2 (0.41)
SCHEMBL7600360 0.78 LMNA (0.38) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7599607 0.77 NPC1 (0.46) HPGDLMNAALDH1A1KMT2AMEN1
SCHEMBL7596021 0.77 HDAC1 (0.45) HPGDALDH1A1GAAKMT2AMEN1

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