SCHEMBL27770330

SCHEMBL27770330

O=CC(=O)c1c2ccccc2cn1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.43
SERPINE1 P05121 2/20 0.41
CNR2 P34972 4/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FAAH O00519 2/20 0.37
MGLL Q99685 2/20 0.37
LMNA P02545 2/20 0.37
ABCC4 O15439 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
TOP1 P11387 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27972748 0.84 ALDH1A1 (0.55) LMNA
SCHEMBL27514694 0.82 ALDH1A1 (0.42) CNR2LMNAGAAHTT
SCHEMBL27514034 0.81 FNTA (0.35) CNR2LMNAHTT
SCHEMBL28818119 0.77 KDM4E (0.34) CNR2LMNAHTT
SCHEMBL27721655 0.77 ADRA1D (0.41) CNR2HDAC8HDAC6HTT
SCHEMBL28035914 0.77 KMT2A (0.33) CNR2LMNATP53
SCHEMBL27729558 0.75 PDE4A (0.37) CNR2LMNATSHR
SCHEMBL27926249 0.75 PTPN1 (0.34) CNR2
SCHEMBL28760252 0.75 LMNA (0.31) CNR2LMNAHTT
SCHEMBL27829979 0.74 TDP1 (0.33) CNR2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490063-B Fluoroboron compound, aromatic ring aminomethylating agent comprising the same, and method for producing compound having aminomethyl aromatic ring using the aromatic ring aminomethylating agent Sanitary Material R&D Management Co.,Ltd. (JP) 2014-10-22 CN disclosed
CN-101490063-A Fluoroboron compound, aromatic ring aminomethylating agent comprising the same, and method for producing compound having aminomethyl aromatic ring using the aromatic ring aminomethylating agent EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed