SCHEMBL5321302

SCHEMBL5321302

CN1C2CCC1CN(C(C=O)n1ncc3c1-c1cc(Cl)ccc1OC3)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MAOB P27338 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
SCHEMBL3195671 0.76 MEN1 (0.52) MAPTMEN1CYP1A2CYP2C9KMT2A
SCHEMBL9537880 0.73 MAPT (0.51) MAPTRXFP1MEN1CYP1A2CYP2C9
SCHEMBL5326087 0.70 MEN1 (0.46) MAPTMEN1CYP1A2CYP2C9KMT2A
SCHEMBL3200470 0.64 MAPT (0.54) MAPTMEN1CYP1A2CYP2C9KMT2A
SCHEMBL5323358 0.64 MAPT (0.46) MAPTRXFP1MEN1KMT2ATP53
SCHEMBL21574277 0.61 NR1H4 (0.51) MAPTRXFP1THRBNR1H4HTT
SCHEMBL29202265 0.59 MEN1 (0.45) MAPTRXFP1MEN1CYP1A2CYP2C9
SCHEMBL5326550 0.58 MEN1 (0.69) MAPTMEN1CYP1A2CYP2C9KMT2A
SCHEMBL26654657 0.58 TP53 (0.43) MAPTMEN1CYP1A2CYP2C9KMT2A
SCHEMBL22049536 0.57 MAOB (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — WO disclosed
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