SCHEMBL3426673

SCHEMBL3426673

Oc1cn(-c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.52
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B2 P19099 1/20 0.36
MAP4K4 O95819 1/20 0.36
ADRB1 P08588 1/20 0.36
ABL1 P00519 1/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4423406 0.78 NOTUM (0.55) NOTUM
SCHEMBL4426056 0.77 NOTUM (0.65) NOTUM
SCHEMBL4423495 0.76 NOTUM (0.50) NOTUMSMN1; SMN2
SCHEMBL4428903 0.76 NOTUM (0.64) NOTUMSMN1; SMN2MAP4K4ABL1HTT
SCHEMBL4425317 0.76 NOTUM (0.50) NOTUMSMN1; SMN2CYP11B2ABL1
SCHEMBL4425073 0.76 NOTUM (0.50) NOTUM
SCHEMBL4429333 0.75 NOTUM (0.49) NOTUMSMN1; SMN2CYP11B2MAP4K4MEN1
SCHEMBL4433531 0.75 NOTUM (0.55) NOTUMSMN1; SMN2ABL1
SCHEMBL27906474 0.75 NOTUM (0.49) NOTUMSMN1; SMN2CYP11B2MEN1KMT2A
SCHEMBL4432842 0.72 NOTUM (0.74) NOTUMSMN1; SMN2MEN1KMT2A

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
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO disclosed