SCHEMBL8444585

SCHEMBL8444585

CS(=O)(=O)c1ccc(C(=O)CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA12 O43570 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DRD2 P14416 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL351380 0.84 POLB (0.74) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL10359739 0.76 POLB (0.57) POLBALDH1A1MAPTCA1CA2
SCHEMBL4539301 0.75 DRD2 (0.73) LMNADRD2TSHR
SCHEMBL27463569 0.75 POLB (0.64) POLBALDH1A1MAPTKDM4ETSHR
SCHEMBL4875267 0.74 ALDH1A1 (0.79) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL9513528 0.74 CA1 (0.54) POLBLMNACA1CA2CA7
SCHEMBL9516076 0.74 HRH3 (0.47) POLBALDH1A1MAPTKDM4ECA1
SCHEMBL3709528 0.74 MAPT (0.68) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL6301694 0.73 MAPT (0.72) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL19851992 0.73 TSHR (0.64) POLBALDH1A1MAPTMEN1KMT2A

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-0395312-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1999-05-12 EP disclosed
US-3910916-A 1-(4-Methanesulfonyl phenacyl)-4-phenyl piperazine SPOFA VEREINIGTE PHARMA WERKE 1975-10-07 US disclosed