Thiocyanic Acid

Thiocyanic Acid

SCHEMBL11080935

N#C[S-].Nc1nc(/C(=N/OC2C=CCC2)C(=O)NC2C(=O)N3C(C(=O)O)=C(C[n+]4ccccc4)CS[C@H]23)ns1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ NR1I2 O75469 6/20 0.48
▸ PGR P06401 3/20 0.48
▸ PPARG P37231 2/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ HTR2C P28335 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ APAF1 O14727 2/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ LMNA P02545 2/20 0.39

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
Thiocyanic Acid SCHEMBL11080944 1.00 TDP1 (0.49) TDP1HSD17B10NR1I2PGRPPARG
Thiocyanic Acid SCHEMBL11080940 1.00 TDP1 (0.49) TDP1HSD17B10NR1I2PGRPPARG
SCHEMBL11041666 0.96 NR1I2 (0.52) TDP1HSD17B10NR1I2PGRPPARG
Iodide SCHEMBL11080266 0.95 NR1I2 (0.51) TDP1HSD17B10NR1I2PGRPPARG
Hydrochloric Acid SCHEMBL11089996 0.95 NR1I2 (0.51) TDP1HSD17B10NR1I2PGRPPARG
Iodide SCHEMBL11080262 0.95 NR1I2 (0.51) TDP1HSD17B10NR1I2PGRPPARG
Hydrochloric Acid SCHEMBL11090004 0.95 NR1I2 (0.51) TDP1HSD17B10NR1I2PGRPPARG
Iodide SCHEMBL11080263 0.95 NR1I2 (0.51) TDP1HSD17B10NR1I2PGRPPARG
Hydrochloric Acid SCHEMBL11090002 0.95 NR1I2 (0.51) TDP1HSD17B10NR1I2PGRPPARG
SCHEMBL11042443 0.91 NR1I2 (0.58) TDP1HSD17B10NR1I2PGRPPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4425340-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
US-4390534-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-06-28 — — US disclosed
EP-0027599-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-29 — — EP disclosed
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