SCHEMBL4753368

SCHEMBL4753368

CC1(C)Cc2cc([N+](=O)[O-])cc(OCCO)c2O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.37
TLR3 O15455 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4751039 0.94 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2TSHRTDP1
SCHEMBL4751070 0.88 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL4751068 0.88 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL4750825 0.86 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL4750822 0.85 CHRNB2 (0.44) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL4753173 0.84 MAPT (0.41) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL6734151 0.81 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL4044524 0.80 LMNA (0.42) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL4753309 0.79 NPC1 (0.37) ALDH1A1LMNANPC1KMT2AMAPT
SCHEMBL4750827 0.76 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2NPC1KMT2A

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