SCHEMBL19822858

SCHEMBL19822858

CC(=N)C(C)C(=O)Nc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 1/20 0.56
ATM Q13315 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
TAAR1 Q96RJ0 2/20 0.49

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
SCHEMBL18852431 0.86 ALDH1A1 (0.66) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL4668132 0.85 ALDH1A1 (0.65) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL307289 0.83 MAPT (0.58) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL306653 0.82 MAPT (0.67) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL14817491 0.81 ALDH1A1 (0.59) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL14580288 0.79 ALDH1A1 (0.62) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL11317206 0.79 ALDH1A1 (0.53) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9886 0.78 ALDH1A1 (0.85) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL19425986 0.78 ALDH1A1 (0.85) MAPTALDH1A1KMT2AMEN1GAA
Acetic Acid SCHEMBL30876192 0.78 NAPRT (0.64) MAPTALDH1A1KMT2AMEN1GAA

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
EP-3490975-B1 O-SUBSTITUTED HYDROXAMIC ACIDS UNIV JOHNS HOPKINS (US) 2021-05-05 EP disclosed
WO-2018022899-A1 O-SUBSTITUTED HYDROXAMIC ACIDS THE JOHNS HOPKINS UNIVERSITY (US) 2018-02-01 WO disclosed