SCHEMBL28024995

SCHEMBL28024995

c1cc2cc(CC3CO3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ AIMP2 Q13155 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ AHR P35869 4/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ F7 P08709 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RAD51 Q06609 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP17A1 P05093 1/20 0.41

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
SCHEMBL27604020 0.83 AIMP2 (0.44) MAOADRD4SIGMAR1AIMP2HDAC1
SCHEMBL31497405 0.79 GRIN1 (0.48) KDM1AMAOAMAOBKDM4EMAPT
SCHEMBL2754953 0.78 ALDH1A1 (0.39) DRD4AIMP2MAPTCYP2A6
SCHEMBL1673434 0.76 CYP1A2 (0.34) DRD4AIMP2CYP2A6
SCHEMBL7810045 0.75 HTR1D (0.54) KDM1AMAOAMAOBAIMP2KDM4E
SCHEMBL7813934 0.75 HTR1D (0.54) KDM1AMAOAMAOBAIMP2KDM4E
SCHEMBL7810050 0.75 HTR1D (0.54) KDM1AMAOAMAOBAIMP2KDM4E
Water SCHEMBL5596576 0.74 ACHE (0.33) DRD4AIMP2CYP2A6
SCHEMBL8666600 0.74 HDAC1 (0.55) KDM1AMAOAMAOBMAPTAHR
SCHEMBL27925000 0.74 KMT2A (0.44) KDM4EMAPTAHRUSP2ALOX15

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
CN-104754941-B Proneurogenic compounds 得克萨斯州大学系统董事会 2018-02-27 — — CN disclosed
CN-107595841-A Preceding neurogenic compounds 得克萨斯州大学系统董事会 2018-01-19 — — CN disclosed
CN-104754941-A Proneurogenic compounds UNIV TEXAS 2015-07-01 — — CN disclosed
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