SCHEMBL4235028

SCHEMBL4235028

N=C(N)SCc1[nH]c(=O)[nH]c(=O)c1Br

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 13/20 0.67
▸ PNP P00491 1/20 0.40
▸ IDO1 P14902 5/20 0.40
▸ ATP1A1 P05023 1/20 0.39
▸ ATP1B1 P05026 1/20 0.39
▸ ATP1A3 P13637 1/20 0.39
▸ ATP1B2 P14415 1/20 0.39
▸ ATP1A2 P50993 1/20 0.39
▸ ATP1B3 P54709 1/20 0.39
▸ FXYD2 P54710 1/20 0.39
▸ ATP1A4 Q13733 1/20 0.39
▸ NOS1 P29475 2/20 0.37
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34

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
Hydrochloric Acid SCHEMBL1691104 0.98 TYMP (0.68) TYMPPNPIDO1ATP1A1ATP1B1
Hydrochloric Acid SCHEMBL1682955 0.79 TYMP (1.00) TYMPIDO1
Hydrochloric Acid SCHEMBL1682948 0.75 TYMP (0.62) TYMPIDO1NOS1NOS3NOS2
SCHEMBL6572727 0.70 TYMP (0.52) TYMPPNP
Hydrochloric Acid SCHEMBL1690736 0.70 TYMP (0.41) TYMPPNP
SCHEMBL6574092 0.66 TYMP (0.50) TYMPPNP
SCHEMBL11002379 0.66 TYMP (0.50) TYMPPNP
Hydrochloric Acid SCHEMBL1690734 0.64 TYMP (0.51) TYMPPNP
SCHEMBL10655644 0.63 TYMP (0.47) TYMPPNP
Hydrochloric Acid SCHEMBL11694179 0.62 ATP1A1 (0.63) IDO1ATP1A1ATP1B1ATP1A3ATP1B2

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
EP-2036903-B1 POTENTIATOR OF RADIATION THERAPY TAIHO PHARMACEUTICAL CO LTD (JP) 2012-05-23 — — EP disclosed
EP-2036903-A1 POTENTIATOR OF RADIATION THERAPY Taiho Pharmaceutical Co., Ltd. (JP) 2009-03-18 — — EP disclosed
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