SCHEMBL3410024

SCHEMBL3410024

O=C(O)NCCCCCCN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 1/20 0.55
LIN28A Q9H9Z2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CHRM2 P08172 1/20 0.43
TERT O14746 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL2471917 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL4276040 0.94 SMN1; SMN2 (0.58) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL19877250 0.89 SMN1; SMN2 (0.62) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL10261553 0.82 TDP1 (0.47) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL3974693 0.82 TDP1 (0.47) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL2840695 0.82 TDP1 (0.47) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL7949662 0.82 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL1517940 0.82 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1HDAC1
SCHEMBL2846951 0.81 SMN1; SMN2 (0.55) SMN1; SMN2TDP1CHRM2NPC1RAB9A
SCHEMBL12836400 0.81 RECQL (0.44) SMN1; SMN2MAPTLIN28ATDP1HDAC1

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
EP-2240171-A2 INHIBITORS OF CARBONIC ANHYDRASE IX Molecular Insight Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
WO-2009089383-A2 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed