SCHEMBL11079217

SCHEMBL11079217

Cc1cccc(CCOc2ccc(N)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KCNH2 Q12809 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.42
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB6 P18564 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15173980 0.85 KCNH2 (0.50) NPC1SMN1; SMN2KCNH2HDAC1HDAC8
SCHEMBL8202749 0.82 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2KCNH2LMNA
SCHEMBL8196269 0.81 SMN1; SMN2 (0.48) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL11086008 0.80 KCNH2 (0.56) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL11087448 0.79 LMNA (0.59) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL7752804 0.76 NOS2 (0.42) ALDH1A1KMT2ASMN1; SMN2KCNH2HDAC1
SCHEMBL8209407 0.76 FFAR1 (0.49) GRM5
SCHEMBL3021299 0.76 RAB9A (0.59) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL9977688 0.74 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2KCNH2TSHR
SCHEMBL6501447 0.74 SMN1; SMN2 (0.65) RAB9ANPC1MAPTALDH1A1KMT2A

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
US-4443246-A Herbicidal pyridyl-ethoxy-phenyl urea derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-04-17 US disclosed
EP-0067718-A1 Urea derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-12-22 EP disclosed