SCHEMBL20114352

SCHEMBL20114352

COC(=O)Cn1nnc(-c2cccc(C)c2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
LMNA P02545 1/20 0.62
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RECQL P46063 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNJ6 P48051 1/20 0.53
KCNJ5 P48544 1/20 0.53
KCNJ3 P48549 1/20 0.53
POLB P06746 4/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CNR2 P34972 1/20 0.51
XPO1 O14980 1/20 0.51
PFKFB3 Q16875 1/20 0.51

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
SCHEMBL12241709 0.87 TSHR (0.75) TSHRNPC1ALDH1A1MAPTRAB9A
SCHEMBL5290594 0.85 MEN1 (0.72) TSHRLMNAALDH1A1MAPTRAB9A
SCHEMBL8947277 0.77 TRPV1 (0.50) TSHRLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL12377871 0.77 TRPM8 (0.62) TSHRLMNANPC1ALDH1A1MAPT
SCHEMBL15647225 0.75 KMT2A (0.66) TSHRLMNANPC1ALDH1A1MAPT
SCHEMBL512955 0.75 LMNA (0.63) TSHRLMNANPC1ALDH1A1MAPT
SCHEMBL18383425 0.73 LMNA (0.47) TSHRLMNANPC1ALDH1A1MAPT
SCHEMBL13631406 0.72 TSHR (0.50) TSHRLMNANPC1ALDH1A1MAPT
SCHEMBL24763566 0.72 TP53 (0.64) TP53
SCHEMBL14982246 0.71 HTT (0.50) TSHRLMNAALDH1A1MAPTSMN1; SMN2

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-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed