SCHEMBL21063571

SCHEMBL21063571

O=C(O)c1ccc(=O)n(C2CNC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.37
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNA4 P43681 4/20 0.37
KDM2B Q8NHM5 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CHRNA7 P36544 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
ENPP2 Q13822 1/20 0.34
CA2 P00918 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL3160335 0.84 HSD17B10 (0.41) TP53TSHRCA12CA1CA9
SCHEMBL924527 0.81 HSD17B10 (0.49) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL924129 0.80 HSD17B10 (0.51) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL21098659 0.79 KMT2A (0.36) KDM2BTP53TSHRCA12CA1
SCHEMBL21098119 0.75 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4KDM2B
SCHEMBL924794 0.74 USP2 (0.40) ALDH1A1KDM4EHSD17B10MAPTTDP1
SCHEMBL19585639 0.71 CRBN (0.51) TSHRALDH1A1DDB1CRBNTDP1
SCHEMBL30738993 0.71 TDP1 (0.32) TP53TSHRCA12CA1CA9
SCHEMBL20812749 0.70 DDB1 (0.35) CA12CA1CA9CA2DDB1
SCHEMBL3174187 0.66 IDH1 (0.50) TP53TSHRCA12CA1CA9

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-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed