SCHEMBL10539161

SCHEMBL10539161

CSNc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 2/20 0.47
PDE4A P27815 1/20 0.47
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38
IDH2 P48735 2/20 0.37
IDH1 O75874 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL10619199 0.82 SMN1; SMN2 (0.74) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL8061638 0.76 LMNA (0.54) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL11257741 0.76 LMNA (0.48) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL11249081 0.76 LMNA (0.48) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL14438979 0.72 PDE4A (0.78) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL8061227 0.71 LMNA (0.48) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL11254098 0.70 NPC1 (0.49) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL11261008 0.70 LMNA (0.42) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL11251263 0.70 SMN1; SMN2 (0.65) LMNASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL9387084 0.70 LMNA (1.00) LMNASMN1; SMN2MAPTCYP1A2CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873291-A AND A MORPHOLIN POLYSULFIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-10-10 US disclosed
US-4808666-A MORPHOLINE POLYSULFIDES AND DITHIOCARBAMYLTRIAZINES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-02-28 US disclosed
EP-0282434-A1 Rubber vulcanization system THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-09-14 EP disclosed
US-4755320-A Containing morpholine polysulfide, dithiocarbamyl triazine, sulfur THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-07-05 US disclosed
US-4339577-A CROSSLINKING INHIBITORS FOR RUBBERS MONSANTO COMPANY (US) 1982-07-13 US disclosed
US-4301260-A Vulcanizable rubber compositions scorch inhibited by 2-(thioamino)-4,6-diamino-1,3,5-triazines MONSANTO COMPANY (US) 1981-11-17 US disclosed