SCHEMBL20456232

SCHEMBL20456232

CC(=O)c1ccc(N2CCN(C=CC=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MEN1 O00255 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PANK3 Q9H999 1/20 0.46
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL8000805 0.84 MAPT (0.58) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL17669252 0.82 MAPT (0.71) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL15801114 0.82 MAPT (0.71) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL9531913 0.79 NPC1 (0.68) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL20456244 0.79 CYP2C9 (0.46) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL20456231 0.77 L3MBTL1 (0.51) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL336009 0.75 NPC1 (0.65) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL909633 0.75 MAPT (0.62) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL15156349 0.75 MAPT (0.62) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL6601289 0.74 CHKA (0.50) MAPTSMN1; SMN2KDM4ENAMPT

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-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 — — WO disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 — — WO disclosed
Send feedback