SCHEMBL19385398

SCHEMBL19385398

[N-]=[N+]=Nc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ POLB P06746 2/20 0.48
▸ FOLH1 Q04609 1/20 0.47
▸ MCL1 Q07820 4/20 0.45
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAP2 P11137 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19385394 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19385396 0.79 GAA (0.62) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL19400880 0.76 ESR1 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19385386 0.73 MAPT (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL28882768 0.73 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL28245664 0.73 KIF11 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19385397 0.71 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL87871 0.71 KDM4E (0.65) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30366683 0.71 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29897041 0.71 ALDH1A1 (0.63) KDM4EALDH1A1HPGDMEN1KMT2A

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-116096360-A Compositions and methods for treating or preventing inflammatory diseases, including type 10I and type II diabetes and thyroid diseases 新概念医疗有限公司 2023-05-09 — — CN disclosed
WO-2017163263-A1 INDOLE DERIVATIVES, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 — — WO disclosed
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