SCHEMBL28840342

SCHEMBL28840342

COc1cc(Br)ccc1N1CCN(OC(=O)C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
RBP4 P02753 1/20 0.40
BACE1 P56817 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL28334260 0.85 NR4A1 (0.43) POLBDRD2DRD4ALDH1A1ALDH1A3
SCHEMBL14852278 0.81 BACE1 (0.55) RBP4BACE1ALDH1A1MAPTLMNA
SCHEMBL16430166 0.80 ALDH1A1 (0.42) POLBDRD2RBP4ALDH1A1ALDH1A3
SCHEMBL7058047 0.78 ALDH1A1 (0.48) POLBRBP4ALDH1A1MAPTNPY2R
SCHEMBL28258173 0.78 SMN1; SMN2 (0.40) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL27859336 0.77 DRD2 (0.48) POLBDRD2DRD4ALDH1A1MAPT
SCHEMBL28112677 0.77 LMNA (0.43) POLBRBP4ALDH1A1MAPTMEN1
SCHEMBL27621448 0.76 MAPT (0.38) ALDH1A1MAPTNPY2RLMNASMN1; SMN2
SCHEMBL25389057 0.75 NCF1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL27824902 0.75 ADAMTS5 (0.42) DRD2DRD4ALDH1A1MAPTLMNA

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
CN-106459044-A Tank-binding kinase inhibitor compounds 吉利德科学公司 2017-02-22 CN disclosed