SCHEMBL6507961

SCHEMBL6507961

O=C(c1ccccc1)N1CCN(CCc2c[nH]c3c(-c4nc(CS(=O)(=O)Cc5ccco5)no4)ccc(F)c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.36
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 4/20 0.34
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 1/20 0.32
ATM Q13315 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MGLL Q99685 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
SCHEMBL6441346 0.86 LMNA (0.41) LMNAMEN1KMT2APOLBPKM
SCHEMBL6511081 0.74 KCNH2 (0.43) LMNAMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6442425 0.69 CYP2C9 (0.45) KCNH2ALDH1A1GLAL3MBTL1S1PR1
SCHEMBL6442082 0.68 CYP2C9 (0.43) LMNAMEN1KMT2APOLBKCNH2
SCHEMBL6514089 0.68 KCNH2 (0.44) LMNAMEN1KMT2AKCNH2ACHE
SCHEMBL6441460 0.67 CYP2C9 (0.41) LMNAKMT2AKCNH2ALDH1A1S1PR1
SCHEMBL6441342 0.67 CYP2C9 (0.41) LMNAMEN1KMT2APKMKCNH2
SCHEMBL6441178 0.67 CYP2C9 (0.42) LMNAMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6441471 0.66 MAPT (0.48) LMNAMEN1KMT2APKMKCNH2
SCHEMBL6441271 0.65 CYP2C9 (0.40) LMNAMEN1KMT2AKCNH2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002004440-A9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-11-03 WO claimed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP claimed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO claimed