SCHEMBL6673395

SCHEMBL6673395

C=CCc1c(N)ccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.44
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29162961 0.83 HTR2C (0.31) IMPDH2HTR2CHTR2BALDH1A1
SCHEMBL845635 0.80 IMPDH2 (0.53) IMPDH2ALDH1A1
SCHEMBL29950776 0.80 CTSL (0.33) ALDH1A1
SCHEMBL30937686 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5333323 0.74 IMPDH2 (0.49) IMPDH2ALDH1A1
SCHEMBL3883594 0.73 ALDH1A1 (0.37) IMPDH2ALDH1A1
SCHEMBL16613034 0.72 ALDH1A1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL10885430 0.72 IMPDH2 (0.47) IMPDH2ALDH1A1
SCHEMBL6652156 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8728189 0.72

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-0990639-B1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL IND CO (JP) 2004-02-25 EP disclosed
US-6162944-A Process for production of N-cyclopropylanilines and intermediates therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-12-19 US disclosed
EP-0990639-A1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-04-05 EP disclosed