SCHEMBL8068052

SCHEMBL8068052

COc1ccc(Cn2nnc3c(=O)[nH]c4cc(C=CC(=O)Nc5ccccc5C(=O)O)ccc4c(=O)c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 4/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ABCC4 O15439 1/20 0.46
HPGDS O60760 1/20 0.46

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
SCHEMBL8068049 1.00 TRPA1 (0.51) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL8066991 0.94 NPC1 (0.43) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL8066994 0.94 NPC1 (0.43) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL7838292 0.87 ALOX15 (0.45) MEN1KMT2AMAPTHPGDCYP3A4
SCHEMBL8058234 0.86 THRB (0.41) SMN1; SMN2MAPTHPGDALDH1A1TP53
SCHEMBL8058240 0.86 THRB (0.41) SMN1; SMN2MAPTHPGDALDH1A1TP53
SCHEMBL7828093 0.85 PADI4 (0.39) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL7828091 0.85 PADI4 (0.39) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL8067254 0.79 ALDH1A1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL8067250 0.79 ALDH1A1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1

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
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed