SCHEMBL3396472

SCHEMBL3396472

ICc1cc(-c2ccccc2)on1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.68
RAB9A P51151 7/20 0.66
ALDH1A1 P00352 3/20 0.66
TDP1 Q9NUW8 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
NPC1 O15118 6/20 0.55
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10274629 0.81 NOTUM (0.68) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL28225146 0.81 NOTUM (0.68) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL1437486 0.81 NOTUM (0.68) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL1457325 0.81 NOTUM (0.68) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL2538472 0.81 NOTUM (0.68) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL1544128 0.81 NOTUM (1.00) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL1233832 0.79 NOTUM (0.66) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL38662222 0.79 NOTUM (0.66) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL14552880 0.78 RAB9A (0.67) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL11804748 0.78 NOTUM (0.64) NOTUMRAB9AALDH1A1TDP1SMN1; SMN2

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed