SCHEMBL30454073

SCHEMBL30454073

CC(C)Oc1cccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
GRM5 P41594 1/20 0.45
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
NISCH Q9Y2I1 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3513772 1.00 MEN1 (0.46) MEN1POLBKMT2AGRM5CHRNB2
SCHEMBL16904329 0.85 CHRNB2 (0.40) MEN1POLBKMT2AGRM5CHRNB2
SCHEMBL11566792 0.80 CHRNB2 (0.41) MEN1POLBKMT2ACHRNB2CHRNA4
SCHEMBL189015 0.80 LMNA (0.47) CHRNB2CHRNA4LMNASMN1; SMN2MET
SCHEMBL30320472 0.80 LMNA (0.47) CHRNB2CHRNA4LMNASMN1; SMN2MET
SCHEMBL24752408 0.78 CHRNB2 (0.39) MEN1POLBKMT2ACHRNB2CHRNA4
SCHEMBL30853057 0.78 CHRNB2 (0.39) MEN1POLBKMT2ACHRNB2CHRNA4
SCHEMBL29189625 0.78 CHRNB2 (0.39) MEN1POLBKMT2ACHRNB2CHRNA4
SCHEMBL9965980 0.78 GRM5 (0.50) MEN1POLBKMT2AGRM5CHRNB2
SCHEMBL9963327 0.78 MEN1 (0.47) MEN1POLBKMT2AGRM5NISCH

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-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed