SCHEMBL13738679

SCHEMBL13738679

O=C(O)N(Cc1ccccc1)CC1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 2/20 0.47
GBA1 P04062 1/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
SLC6A1 P30531 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRB2 P47870 2/20 0.44
SLC6A12 P48065 2/20 0.44
SLC6A11 P48066 2/20 0.44
SLC6A13 Q9NSD5 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRA4 P48169 1/20 0.44
CTSD P07339 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL1624125 1.00 USP30 (0.53) USP30KMT2AMEN1PKMGBA1
SCHEMBL3274646 1.00 USP30 (0.53) USP30KMT2AMEN1PKMGBA1
Hydrochloric Acid SCHEMBL3272901 0.99 USP30 (0.52) USP30KMT2AMEN1PKMGBA1
SCHEMBL3693309 0.92 KMT2A (0.52) USP30KMT2AMEN1PKMHDAC1
SCHEMBL3017258 0.92 KMT2A (0.52) USP30KMT2AMEN1PKMHDAC1
SCHEMBL2009587 0.91 GBA1 (0.53) USP30KMT2AMEN1PKMGBA1
Hydrochloric Acid SCHEMBL1624112 0.90 KMT2A (0.51) USP30KMT2AMEN1PKMHDAC1
Hydrochloric Acid SCHEMBL1623810 0.90 KMT2A (0.51) USP30KMT2AMEN1PKMHDAC1
SCHEMBL13740448 0.86 USP30 (0.46) USP30KMT2AMEN1PKMGBA1
SCHEMBL13740450 0.86 USP30 (0.46) USP30KMT2AMEN1PKMGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2916833-A1 METHODS OF TREATING LIVER DISEASES Zafgen, Inc. (US) 2015-09-16 EP disclosed
WO-2014071368-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. (US) 2014-05-08 WO disclosed
WO-2012154676-A9 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-27 WO disclosed
EP-2705030-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed