SCHEMBL19446822

SCHEMBL19446822

Cc1ccc(C(=O)N2CCN(c3nc(C)c(C)cc3C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ GBA1 P04062 1/20 0.53
▸ PKM P14618 2/20 0.53
▸ LMNA P02545 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ SLC6A7 Q99884 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ C1S P09871 2/20 0.49
▸ SMO Q99835 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2366256 0.90 ALDH1A1 (0.46) ALDH1A1GBA1PKMLMNAKDM4E
SCHEMBL2366540 0.83 ABL1 (0.44) ALDH1A1GBA1KDM4ESLC6A7KMT2A
SCHEMBL14686547 0.82 MEN1 (0.44) ALDH1A1LMNAKDM4ESLC6A7MEN1
SCHEMBL14687647 0.81 MEN1 (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL14686883 0.81 MEN1 (0.64) ALDH1A1PKMLMNAKDM4EMEN1
SCHEMBL27848280 0.81 ALDH1A1 (0.43) ALDH1A1GBA1LMNAKDM4EMEN1
SCHEMBL14687200 0.81 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL14687293 0.81 ALDH1A1 (0.53) ALDH1A1GBA1LMNAKDM4EMEN1
SCHEMBL2365769 0.81 KMT2A (0.43) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL20134799 0.80 ALDH1A1 (0.39) ALDH1A1GBA1LMNAKDM4EMEN1

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-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 — — EP disclosed
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