SCHEMBL27517752

SCHEMBL27517752

O=C(O)c1ccc(N=C=S)cc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.52
HSD17B10 Q99714 1/20 0.51
TSHR P16473 3/20 0.50
TRPA1 O75762 1/20 0.50
TP53 P04637 1/20 0.50
CA2 P00918 7/20 0.48
CA1 P00915 6/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
P2RY6 Q15077 1/20 0.47
SRD5A2 P31213 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL455561 0.98 MIF (0.54) MIFHSD17B10TSHRTRPA1TP53
Paraben SCHEMBL6755103 0.90 CA2 (0.59) MIFHSD17B10TSHRTRPA1TP53
SCHEMBL6755096 0.84 PRSS1 (0.53) HSD17B10
SCHEMBL941258 0.83 P2RY6 (0.50) MIFHSD17B10CA2CA1P2RY6
SCHEMBL23481284 0.81 HSD17B10 (0.49) MIFHSD17B10TRPA1CA2CA1
SCHEMBL635606 0.80 MIF (0.59) MIFHSD17B10TRPA1CA2CA1
SCHEMBL3398682 0.80 KDM4E (0.50) MIFHSD17B10TRPA1CA2CA1
SCHEMBL3900460 0.79 MIF (0.41) MIFHSD17B10TSHRTP53CA2
SCHEMBL1308638 0.79 NOS3 (0.53) MIFHSD17B10CA2CA1P2RY6
SCHEMBL10576522 0.79 P2RY6 (0.52) MIFHSD17B10TSHRTRPA1CA2

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
CN-1225654-A Angiogenic inhibitory compounds BIOMOLECULAR RES INST LTD (AU) 1999-08-11 CN disclosed
CN-1225653-A Antiviral linear polymer BIOMOLECULAR RES INST LTD (AU) 1999-08-11 CN disclosed