SCHEMBL24326628

SCHEMBL24326628

CNCCCc1nc(-c2ccc(C)cc2)no1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC1 Q13547 1/20 0.60
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.52
SIRT2 Q8IXJ6 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL24326634 0.83 TDP1 (0.69) TDP1ATML3MBTL1HDAC2HDAC8
SCHEMBL24326619 0.82 S1PR2 (0.49) TDP1ATML3MBTL1HDAC2HDAC8
SCHEMBL22280327 0.82 PLK1 (0.59) HDAC2HDAC8HDAC1LMNASMN1; SMN2
SCHEMBL24326051 0.82 TDP1 (0.68) TDP1ATML3MBTL1HDAC2HDAC8
SCHEMBL28869644 0.82 SIRT2 (0.75) TDP1ATML3MBTL1HDAC2HDAC8
SCHEMBL12611874 0.81 MAPT (0.67) TDP1ATML3MBTL1HDAC8HDAC1
Hydrochloric Acid SCHEMBL26691018 0.80 S1PR1 (0.64) TDP1ATML3MBTL1MAPTSMN1; SMN2
SCHEMBL16975850 0.80 SMN1; SMN2 (0.71) TDP1ATML3MBTL1HDAC2HDAC8
SCHEMBL14679168 0.78 TDP1 (0.62) TDP1ATML3MBTL1HDAC2HDAC8
SCHEMBL11920075 0.78 TDP1 (0.62) TDP1ATML3MBTL1HDAC2HDAC8

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-2022056042-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-03-17 WO disclosed