SCHEMBL27979983

SCHEMBL27979983

Cc1c(N=NN)ccc(-c2ccc(C(=O)O)cc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP4K4 O95819 2/20 0.39
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
FOLH1 Q04609 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
ADH5 P11766 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL28376237 0.82 ALDH1A1 (0.56) SRD5A2RXRARXRBCA12CA1
SCHEMBL842987 0.74 FOLH1 (0.49) SRD5A2RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL9599418 0.69 RXRA (0.46) SRD5A2RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL2038942 0.68 MAP4K4 (0.46) RXRARXRBALDH1A1SMN1; SMN2MAP4K4
SCHEMBL17707307 0.68 MAP4K4 (0.46) SRD5A2RXRARXRBCA12CA1
SCHEMBL2303614 0.68 TRPA1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL2951399 0.67 NR1H4 (0.51) SRD5A2RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL30159253 0.67 NR1H4 (0.51) SRD5A2RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL28780719 0.67 TRPA1 (0.65) SRD5A2CA12CA1CA2CA9
SCHEMBL28380155 0.67 TP53 (0.55) SRD5A2RXRARXRBCA12CA1

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-103987846-A Double-stranded nucleic acid, use and kit thereof in ribonuclease detection SUZHOU RIBO LIFE SCIENCE CO LTD 2014-08-13 CN claimed
CN-103987846-A Double-stranded nucleic acid, use and kit thereof in ribonuclease detection SUZHOU RIBO LIFE SCIENCE CO LTD 2014-08-13 CN disclosed