SCHEMBL4753174

SCHEMBL4753174

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.35
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.31
TLR3 O15455 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
SCHEMBL4750827 0.91 ALDH1A1 (0.38) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4753363 0.82 HTR2A (0.38) KMT2AALDH1A1MEN1LMNAHTR2A
SCHEMBL4753368 0.74 ALDH1A1 (0.45) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4751070 0.74 ALDH1A1 (0.41) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4751068 0.74 ALDH1A1 (0.41) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4044524 0.73 LMNA (0.42) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4750825 0.73 ALDH1A1 (0.40) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4751039 0.73 ALDH1A1 (0.45) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4750822 0.72 CHRNB2 (0.44) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL6734151 0.72 ALDH1A1 (0.40) KMT2AALDH1A1MEN1LMNASMN1; 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-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