SCHEMBL6139531

SCHEMBL6139531

O=CC=C(Cl)c1ccc(Br)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 4/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL6139529 1.00 MAPT (0.44) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL2559234 0.75 CES2 (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2559511 0.75 CES2 (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2559233 0.75 CES2 (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL320780 0.75 MAPT (0.55) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL2559262 0.72 CES2 (0.46) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL8338715 0.72 CES2 (0.46) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL2559260 0.72 CES2 (0.46) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL177140 0.71 TSHR (0.65) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL29952754 0.70 PARP1 (0.50) MAPTALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
CN-1210250-C Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI SYNTHELABO (FR) 2005-07-13 CN disclosed
US-6908914-B1 Antipsychotic cyclic N-aralkylamines SANOFI-SYNTHELABO (FR) 2005-06-21 US disclosed
CN-1156462-C Antipsychotic cyclic N-aralkyl amines ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-07-07 CN disclosed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed
CN-1367783-A Antipsychotic cyclic N-aralkyl amines SANOFI SYNTHELABO (FR) 2002-09-04 CN disclosed
CN-1355782-A Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI SYNTHELABO (FR) 2002-06-26 CN disclosed
EP-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO disclosed