SCHEMBL3124302

SCHEMBL3124302

O=C(c1ccc(N2CCOCC2)s1)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 6/20 0.58
RAB9A P51151 3/20 0.47
MGLL Q99685 1/20 0.47
AR P10275 1/20 0.47
RORC P51449 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
AKT1 P31749 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL26990021 0.83 HPGD (0.51) MAPTALDH1A1RAB9AARMEN1
SCHEMBL3127062 0.75 AR (0.50) MAPTALDH1A1RAB9AARMEN1
SCHEMBL28725597 0.74 MAPT (0.55) MAPTALDH1A1RAB9AARMEN1
SCHEMBL4395535 0.71 MAPT (0.49) MAPTALDH1A1RAB9AMEN1KMT2A
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL6938284 0.69 MGLL (0.68) MAPTALDH1A1RAB9AMGLLKMT2A
Hydrochloric Acid SCHEMBL10333813 0.68 ALDH1A1 (0.50) ALDH1A1RECQLLMNAGAA
SCHEMBL3121764 0.68 ALDH1A1 (0.57) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL28916553 0.67 MGLL (0.64) ALDH1A1RAB9AMGLLMEN1KMT2A
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL4648775 0.66 MGLL (0.62) MAPTALDH1A1RAB9AMGLLKMT2A
SCHEMBL1946478 0.66 MEN1 (0.50) MAPTALDH1A1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010001126-A1 THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-01-07 WO disclosed