SCHEMBL9057987

SCHEMBL9057987

O=C(NCCO)c1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.65
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
KMT2A Q03164 1/20 0.64
THRB P10828 1/20 0.63
HIF1A Q16665 2/20 0.61
HDAC6 Q9UBN7 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
FAAH O00519 1/20 0.59
MAPT P10636 1/20 0.57

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
SCHEMBL23822917 0.83 HIF1A (0.56) TP53NPC1RAB9AKMT2ATHRB
SCHEMBL27176302 0.80 NPC1 (0.54) TP53NPC1RAB9AKMT2ATHRB
SCHEMBL1178560 0.80 TP53 (0.53) TP53NPC1RAB9AKMT2ATHRB
SCHEMBL1178691 0.78 LMNA (0.81) NPC1RAB9AKMT2AHIF1ASMN1; SMN2
SCHEMBL1178853 0.78 LMNA (0.55) TP53NPC1RAB9AKMT2ATHRB
SCHEMBL892395 0.77 SNCA (0.60) TP53THRB
SCHEMBL11931680 0.77 NPC1 (1.00) NPC1RAB9AKMT2A
SCHEMBL892967 0.77 CDH1 (0.82) TP53NPC1RAB9AKMT2ATHRB
SCHEMBL16401825 0.77 CDH1 (0.63) TP53NPC1RAB9AKMT2ATHRB
SCHEMBL20507305 0.76 HDAC6 (0.82) TP53NPC1RAB9AKMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8027130-A None JP disclosed
JP-H0827130-A NEW 5-SUBSTITUTED ISOXAZOLE-3-CARBOXYAMIDE DERIVATIVE TEIKOKU HORMONE MFG CO LTD 1996-01-30 JP disclosed