SCHEMBL20375131

SCHEMBL20375131

Nc1ccc(CCn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.55
▸ MAOB P27338 4/20 0.52
▸ MAOA P21397 2/20 0.52
▸ BCHE P06276 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ SMPD1 P17405 2/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ DNM1 Q05193 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HBB P68871 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL29643279 0.84 BCHE (0.67) HDAC6BCHEACHEKDM4ESMPD1
SCHEMBL11209828 0.84 BCHE (0.67) HDAC6BCHEACHEKDM4ESMPD1
SCHEMBL28722865 0.82 CYP19A1 (0.70) HDAC6KDM4EHTR6DNM1MEN1
SCHEMBL19324341 0.81 HDAC6 (0.59) HDAC6BCHEACHEKDM4ESMPD1
SCHEMBL17150144 0.81 P2RX4 (0.57) HDAC6BCHEACHEKDM4ESMPD1
Hydrochloric Acid SCHEMBL19896404 0.79 KMT2A (0.49) MAOBMAOABCHEACHEKDM4E
SCHEMBL20961472 0.78 HDAC6 (0.68) HDAC6BCHEACHEKDM4ESMPD1
SCHEMBL18638857 0.77 HDAC6 (0.51) HDAC6BCHEACHEKDM4ESMPD1
SCHEMBL17150143 0.77 SMPD1 (0.78) HDAC6BCHEACHEKDM4ESMPD1
SCHEMBL9768532 0.76 CYP1A2 (0.70) HDAC6MAOBMAOAACHEKDM4E

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
EP-3345597-A2 PKC DELTA INHIBITORS FOR USE AS THERAPEUTICS Faller & Williams Technology, LLC (US) 2018-07-11 — — EP disclosed
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