SCHEMBL28040153

SCHEMBL28040153

CCC1(CC)c2cc(F)ccc2-c2ccc(I)cc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 3/20 0.36
AKR1B1 P15121 3/20 0.36
PDK2 Q15119 1/20 0.36
HTR7 P34969 1/20 0.30
TDP2 O95551 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL1921820 0.89 TDP2 (0.35) TDP2
SCHEMBL660283 0.81 PDK2 (0.36) PDK2
SCHEMBL13781644 0.80 AKR1B1 (0.39) AKR1A1AKR1B1PDK2TDP2CA1
SCHEMBL12321120 0.79 PDK2 (0.35) AKR1A1AKR1B1PDK2TDP2CA1
SCHEMBL28040753 0.79 AKR1B1 (0.50) AKR1A1AKR1B1PDK2HTR7
SCHEMBL7864657 0.76 ALDH1A3 (0.33) TDP2
SCHEMBL5552183 0.74 TDP2 (0.33) TDP2
SCHEMBL1921532 0.71 ELANE (0.33) PDK2TDP2
SCHEMBL4634013 0.70 MMP2 (0.33) PDK2TDP2
SCHEMBL1448661 0.69 MMP2 (0.36) PDK2TDP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037167-B A kind of synthetic method of N, N diaryl 2 bromine 6 naphthylamines and its application 华南理工大学 2017-03-01 CN claimed
CN-105037167-A Synthetic method of N, N-diaryl-2-bromine-6-naphthylamine and application thereof UNIV SOUTH CHINA TECH 2015-11-11 CN claimed
CN-105037167-B A kind of synthetic method of N, N diaryl 2 bromine 6 naphthylamines and its application 华南理工大学 2017-03-01 CN disclosed
CN-105037167-A Synthetic method of N, N-diaryl-2-bromine-6-naphthylamine and application thereof UNIV SOUTH CHINA TECH 2015-11-11 CN disclosed