SCHEMBL10401988

SCHEMBL10401988

NC(C=S)c1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 10/20 0.50
▸ RECQL P46063 7/20 0.50
▸ KDM4E B2RXH2 7/20 0.50
▸ MAPT P10636 7/20 0.50
▸ LMNA P02545 4/20 0.50
▸ BLM P54132 4/20 0.50
▸ APEX1 P27695 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MTOR P42345 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ADRA1A P35348 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ HPGD P15428 2/20 0.47

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
SCHEMBL7192542 0.79 TDP1 (0.50) TDP1RECQLKDM4EMAPTLMNA
SCHEMBL20361608 0.79 TDP1 (0.50) TDP1RECQLKDM4EMAPTLMNA
SCHEMBL10403347 0.76 ESR1 (0.42) TDP1RECQLKDM4EMAPTLMNA
SCHEMBL30516160 0.71 TDP1 (0.67) TDP1RECQLKDM4EMAPTLMNA
SCHEMBL14293022 0.71 TDP1 (0.67) TDP1RECQLKDM4EMAPTLMNA
SCHEMBL278495 0.71 TDP1 (0.67) TDP1RECQLKDM4EMAPTLMNA
SCHEMBL10401987 0.71 TDP1 (0.50) TDP1RECQLKDM4EMAPTLMNA
Isopropylamine SCHEMBL10604489 0.70 TDP1 (0.70) TDP1RECQLKDM4EMAPTLMNA
SCHEMBL19771233 0.70 TDP1 (0.70) TDP1RECQLKDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL1825918 0.70 KDM4E (0.68) TDP1RECQLKDM4EMAPTLMNA

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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