SCHEMBL17883340

SCHEMBL17883340

CC1CCN(c2cc(CN[C@@H](c3ccc(C(=O)NO)cc3)C(C)C)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ KLKB1 P03952 4/20 0.40
▸ KLK1 P06870 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ OGA O60502 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2412543 0.69 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC8KDM1A
SCHEMBL12017424 0.69 RAB9A (0.64) HDAC6HDAC1HDAC3HRH3TSHR
SCHEMBL12321407 0.69 ENPP2 (0.46) HDAC6TSHRALDH1A1LMNAMAPT
SCHEMBL3738805 0.68 PIK3CA (0.65) MAPK14NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18330480 0.68 OGA (0.46) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30576121 0.66 MAPK14 (0.52) MAPK14NPC1RAB9ALMNAMAPT
SCHEMBL30576044 0.64 HTR1F (0.57) MAPK14NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4190388 0.64 ALDH1A1 (0.47) HRH3ALDH1A1LMNA
SCHEMBL30576117 0.63 RAF1 (0.48) MAPK14NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30576128 0.63 MAPT (0.55) MAPK14NPC1ALDH1A1RAB9AMAPT

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
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US claimed
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