SCHEMBL14938455

SCHEMBL14938455

C/C(=N/NC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
POLB P06746 2/20 0.64
ALDH1A1 P00352 5/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CYP1A2 P05177 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ATM Q13315 1/20 0.51
METTL3 Q86U44 1/20 0.51

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
SCHEMBL14938527 0.87 RAD51 (0.54) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL14938481 0.87 MAPK1 (0.55) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL12186261 0.84 MAPT (0.70) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL14938458 0.83 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30616243 0.81 ALDH1A1 (0.50) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL14950270 0.80 CYP1A2 (0.44) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL11469499 0.80 POLB (0.53) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL14938598 0.79 LMNA (0.60) POLBALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL14938725 0.79 RAB9A (0.67) MAPTPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL14938448 0.79 RAB9A (0.65) MAPTPOLBALDH1A1LMNASMN1; 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-2013067646-A1 PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS UNIVERSITY OF OTTAWA (CA) 2013-05-16 WO disclosed