SCHEMBL9239707

SCHEMBL9239707

CC(C)(C)n1ncc(SCc2ccc(C(=O)c3ccc(F)cc3)cc2)c(Cl)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
GALR3 O60755 1/20 0.67
NR2F2 P24468 1/20 0.67
GPR183 P32249 1/20 0.67
GPR35 Q9HC97 1/20 0.67
MAPT P10636 3/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
JAK2 O60674 1/20 0.41
S1PR2 O95136 1/20 0.41
XBP1 P17861 1/20 0.41
KCNQ3 O43525 1/20 0.40

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
SCHEMBL9240139 0.91 KMT2A (0.70) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL10700020 0.86 NPC1 (0.71) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL29034522 0.86 NPC1 (0.71) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL9238698 0.83 RAB9A (0.67) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL9775193 0.83 NPC1 (0.81) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL29034524 0.82 NPC1 (0.69) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL9238687 0.82 NPC1 (0.57) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL9240100 0.81 NPC1 (0.82) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL9625863 0.81 KMT2A (0.67) RAB9ANPC1KMT2AMEN1GALR3
SCHEMBL9625865 0.81 KMT2A (0.67) RAB9ANPC1KMT2AMEN1GALR3

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
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed