SCHEMBL9533537

SCHEMBL9533537

[CH]1c2ccccc2CC12CC2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL9533372 0.91 KDM1A (0.34) TSHR
SCHEMBL9531663 0.89 ALDH1A1 (0.36) TSHR
SCHEMBL22499372 0.82
SCHEMBL29791692 0.77 PARP1 (0.36) CA1CA2PARP1
SCHEMBL18440156 0.77 PARP1 (0.36) CA1CA2PARP1
SCHEMBL2581169 0.71 MAOB (0.33) TSHR
SCHEMBL18440302 0.70 PARP1 (0.34) TSHRCA1CA2PARP1
SCHEMBL18440606 0.70 PARP1 (0.34) TSHRCA1CA2PARP1
SCHEMBL29174116 0.70 MAOB (0.32)
SCHEMBL9532397 0.68 NPSR1 (0.37) TSHR

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
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed