SCHEMBL9531366

SCHEMBL9531366

[CH]1CC2(CCCCC2)Oc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
UBE2N P61088 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9533644 0.90 HTR2C (0.40) HTR2CHTR2BATMMEN1TP53
SCHEMBL1707125 0.71 MEN1 (0.40) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL10192226 0.69 KDM4E (0.41) ALDH1A1KDM4EHTTATMMEN1
SCHEMBL7417868 0.69 KDM4E (0.41) ALDH1A1KDM4EHTTATMMEN1
SCHEMBL3560241 0.67 SIGMAR1 (0.57) HTR2CTSHR
SCHEMBL7858958 0.67 SIGMAR1 (0.41) ALDH1A1KDM4EHTTATMMEN1
SCHEMBL9532960 0.67 TSHR (0.37) HTR2CHTR2BMEN1TP53MAPT
SCHEMBL1115308 0.67 HTR2C (0.70) HTR2CHTR2BALDH1A1
SCHEMBL2113696 0.66 ALDH1A1 (0.38) ALDH1A1KDM4EHTTATMMEN1
SCHEMBL11005301 0.65 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1MAPTMAPK1

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 1 patent. 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