SCHEMBL4378933

SCHEMBL4378933

C=C(OC)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MAPT P10636 4/20 0.49
PKM P14618 4/20 0.49
KDM4E B2RXH2 6/20 0.48
LMNA P02545 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.46
CDK5 Q00535 1/20 0.46
PAX8 Q06710 1/20 0.46
CDK5R1 Q15078 1/20 0.46
HTT P42858 2/20 0.45
GRM4 Q14833 2/20 0.45

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
SCHEMBL23416472 0.82 RAB9A (0.49) ALDH1A1CES2CES1SMN1; SMN2NPC1
SCHEMBL5640995 0.80 ALDH1A1 (0.54) ALDH1A1CES2CES1SMN1; SMN2NPC1
Methyl Alcohol SCHEMBL28478481 0.79 ALDH1A1 (0.58) ALDH1A1CES2CES1SMN1; SMN2NPC1
SCHEMBL28715792 0.79 ALDH1A1 (0.48) ALDH1A1CES2CES1SMN1; SMN2NPC1
SCHEMBL8073836 0.79 ALDH1A1 (0.53) ALDH1A1CES2CES1SMN1; SMN2NPC1
SCHEMBL15364448 0.78 ALDH1A1 (0.52) ALDH1A1CES2CES1SMN1; SMN2NPC1
SCHEMBL29809810 0.78 ALDH1A1 (0.47) ALDH1A1CES2CES1SMN1; SMN2NPC1
SCHEMBL4380607 0.78 ALDH1A1 (0.47) ALDH1A1CES2CES1SMN1; SMN2NPC1
SCHEMBL177744 0.77
SCHEMBL30736102 0.77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081696-A1 LUMINESCENCE ENHANCER AND USE THEREOF FUJIREBIO INC. (JP) 2009-03-26 US disclosed
EP-2028250-A1 LUMINESCENCE ENHANCER FUJIREBIO INC. (JP) 2009-02-25 EP disclosed
WO-2008078200-A2 PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC. (CA) 2008-07-03 WO disclosed