SCHEMBL11282004

SCHEMBL11282004

Cl[Pt]Cl.NC1C(N)[C@H]2CC[C@@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
CHRNB2 P17787 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35

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
SCHEMBL3482710 0.87
SCHEMBL9746214 0.87
SCHEMBL10818644 0.83 MEN1 (0.50) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL10890710 0.83 MEN1 (0.50) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL24268905 0.79
SCHEMBL3482522 0.71 MEN1 (0.36) MEN1CYP1A2CYP3A4CYP2D6TSHR
Oxalic Acid SCHEMBL11330545 0.69 MEN1 (0.39) MEN1CYP1A2CYP3A4CYP2D6TSHR
Sulfuric Acid SCHEMBL11325182 0.69 MEN1 (0.39) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL24584655 0.69 MEN1 (0.44) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL24584563 0.69 MEN1 (0.44) MEN1CYP1A2CYP3A4CYP2D6TSHR

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-4359425-A OF A DIAMONO FUSED SATURATED HYDROCARBON RING, HAVING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 1982-11-16 US claimed
US-4359425-A OF A DIAMONO FUSED SATURATED HYDROCARBON RING, HAVING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 1982-11-16 US disclosed