SCHEMBL901094

SCHEMBL901094

C=CCCCCC(C)CNc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HDAC2 Q92769 5/20 0.36
▸ HDAC3 O15379 4/20 0.36
▸ HDAC4 P56524 4/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC7 Q8WUI4 4/20 0.36
▸ HDAC10 Q969S8 4/20 0.36
▸ HDAC11 Q96DB2 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC9 Q9UKV0 4/20 0.36
▸ HDAC5 Q9UQL6 4/20 0.36
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ IDH1 O75874 1/20 0.32

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
SCHEMBL10078834 0.87 MAPT (0.46) MAPTALDH1A1HDAC2HDAC3HDAC4
SCHEMBL11045598 0.80 KCNH3 (0.41) MAPTALDH1A1HDAC2HDAC3HDAC4
SCHEMBL24575756 0.79 HDAC8 (0.42) MAPTALDH1A1HDAC2HDAC3HDAC4
SCHEMBL902169 0.79 HDAC8 (0.42) MAPTALDH1A1HDAC2HDAC3HDAC4
SCHEMBL11049049 0.78 MAPT (0.42) MAPTALDH1A1HDAC2HDAC3HDAC4
SCHEMBL9572583 0.76 MAPT (0.43) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL19285032 0.76 ALDH1A1 (0.64) MAPTALDH1A1HDAC2HDAC3HDAC1
SCHEMBL12731383 0.74 ALDH1A1 (0.61) MAPTALDH1A1HDAC2HDAC3HDAC1
SCHEMBL9572777 0.74 MAPT (0.44) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL28103284 0.74 HDAC2 (0.37) MAPTALDH1A1HDAC2HDAC3HDAC4

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
WO-2012040853-A1 GROUP 5 METAL COMPLEXES USEFUL FOR AMINE FUNCTIONALIZATION AND SYNTHETIC PROCESS FOR MANUFACTURE THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-04-05 — — WO disclosed
WO-2012040853-A1 GROUP 5 METAL COMPLEXES USEFUL FOR AMINE FUNCTIONALIZATION AND SYNTHETIC PROCESS FOR MANUFACTURE THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-04-05 — — WO disclosed
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