SCHEMBL4440934

SCHEMBL4440934

[CH2]CCCCc1nc(-c2cccs2)no1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC8 Q9BY41 2/20 0.62
MCL1 Q07820 1/20 0.61
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
PKM P14618 1/20 0.51
GAA P10253 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FFAR1 O14842 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4440742 0.96 MCL1 (0.63) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL4442344 0.90 MCL1 (0.66) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL4439807 0.83 RAB9A (0.61) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL19287090 0.81 MCL1 (0.62) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL2031451 0.78 HDAC1 (0.67) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL2028282 0.77 HDAC1 (0.69) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL12434381 0.77 RAB9A (0.61) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL1486703 0.77 RAB9A (0.61) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL8888284 0.77 MCL1 (0.65) HDAC1HDAC2HDAC8MCL1RAB9A
SCHEMBL202064 0.77 RAB9A (0.61) HDAC1HDAC2HDAC8MCL1RAB9A

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
EP-2044064-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2009-04-08 EP claimed
WO-2008003861-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2008-01-10 WO claimed
EP-2044064-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2009-04-08 EP disclosed
WO-2008003861-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2008-01-10 WO disclosed