SCHEMBL4750827

SCHEMBL4750827

CC(C)(CN)Oc1cc([N+](=O)[O-])cc2c1OC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
TLR3 O15455 1/20 0.31
HTT P42858 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL4753174 0.91 KMT2A (0.37) ALDH1A1LMNASMN1; SMN2HTR2AKMT2A
SCHEMBL4750906 0.81 HTR2A (0.40) ALDH1A1LMNAHTR2AKMT2ANPC1
SCHEMBL4751068 0.76 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HTR2AKMT2A
SCHEMBL4751070 0.76 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4753368 0.76 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4044524 0.75 LMNA (0.42) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4750825 0.75 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4751039 0.75 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4750822 0.74 CHRNB2 (0.44) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6734151 0.74 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed