SCHEMBL10340530

SCHEMBL10340530

NC1(N)CCCCC1.O=[N+]([O-])[O-].[Pd]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7861963 0.94 TSHR (0.33) TSHRCYP2C19MEN1KMT2A
SCHEMBL10340531 0.94 TSHR (0.33) TSHRCYP2C19MEN1KMT2A
SCHEMBL7861964 0.94 TSHR (0.33) TSHRCYP2C19MEN1KMT2A
SCHEMBL5697152 0.94 TSHR (0.39) TSHRCYP2C19MEN1KMT2A
Nitric Acid SCHEMBL5697157 0.87 CA5A (0.38) TSHRCYP2C19
Nitric Acid SCHEMBL5697160 0.84 CA5A (0.40) TSHRCYP2C19
SCHEMBL8672905 0.78 TSHR (0.38) TSHRCYP2C19
SCHEMBL20291779 0.78 TSHR (0.38) TSHRCYP2C19
Cyclohexane SCHEMBL732752 0.78 TSHR (0.38) TSHRCYP2C19
SCHEMBL261336 0.78 TSHR (0.38) TSHRCYP2C19

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
JP-2311488-A None JP disclosed
JP-H02311488-A NEW PLATINUM COMPLEX AND ANTITUMOR AGENT CONTAINING THE SAME PLATINUM COMPLEX AS ACTIVE INGREDIENT TSUMURA & CO 1990-12-27 JP disclosed